SCHEMBL585529

SCHEMBL585529

COc1cccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3cccc(OC)c3)=C3C=CC(=N3)C=C3C=CC2=N3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 2/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CDK5 Q00535 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6804334 0.87 CYP1A1 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL585042 0.85 TLR8 (0.36) —
SCHEMBL433808 0.85 DYRK1A (0.49) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL4266561 0.84 ME2 (0.34) CLK4TSHRMAPK1KDM4EKMT2A
Dimethylamine SCHEMBL1861764 0.82 KDM4E (0.38) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL585273 0.81 MAOA (0.34) CYP1A2CYP2C19CYP2C9SMN1; SMN2MAOB
SCHEMBL2325507 0.81 CYP1A2 (0.32) CYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL584790 0.80 HSD17B1 (0.37) CYP1A2CYP3A4CYP2D6CYP2C19CCNB2
Hydrochloric Acid SCHEMBL584375 0.80 CHRNB2 (0.33) CYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL1856480 0.79 FFAR1 (0.35) CYP1A2CYP2C19CYP2C9SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10806694-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, radiodynamic therapy, chemotherapy, immunotherapy, and any combination thereof THE UNIVERSITY OF CHICAGO (US) 2020-10-20 — — US disclosed
US-10780045-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, chemotherapy, immunotherapy, and any combination thereof THE UNIVERSITY OF CHICAGO (US) 2020-09-22 — — US disclosed
EP-3206987-B1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF UNIV CHICAGO (US) 2020-07-01 — — EP disclosed
CN-107001031-B Metal organic framework, pharmaceutical preparation and application of pharmaceutical preparation in preparation of drugs 芝加哥大学 2019-11-15 — — CN disclosed
US-20190209460-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF THE UNIVERSITY OF CHICAGO 2019-07-11 — — US disclosed
US-10206871-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, chemotherapy, immunotherapy, and any combination thereof THE UNIVERSITY OF CHICAGO (US) 2019-02-19 — — US disclosed
US-20180153796-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, RADIODYNAMIC THERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF THE UNIVERSITY OF CHICAGO 2018-06-07 — — US disclosed
EP-3206987-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF The University of Chicago (US) 2017-08-23 — — EP disclosed
US-20170231903-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF THE UNIVERSITY OF CHICAGO (US) 2017-08-17 — — US disclosed
CN-107001031-A Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, chemotherapy, immunotherapy and any combination thereof 芝加哥大学 2017-08-01 — — CN disclosed
US-8084602-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (CH) 2011-12-27 — — US disclosed
US-7977474-B2 Uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2011-07-12 — — US disclosed
EP-1897883-A2 Cationic porphyrin derivatives as antibacterial agents Destiny Pharma Limited (GB) 2008-03-12 — — EP disclosed
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy DESTINY PHARMA LIMITED 2007-12-06 — — US disclosed
EP-1578750-B1 CATIONIC PORPHYRIN DERIVATIVES AS ANTIBACTERIAL AGENTS DESTINY PHARMA LTD (GB) 2007-11-21 — — EP disclosed
US-20070167619-A1 Novel uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2007-07-19 — — US disclosed
US-7244841-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (GB) 2007-07-17 — — US disclosed
EP-1768666-A1 NOVEL USES OF PORPHYRIN COMPOUNDS Destiny Pharma Limited (GB) 2007-04-04 — — EP disclosed
WO-2006000765-A1 NOVEL USES DESTINY PHARMA LIMITED (GB) 2006-01-05 — — WO disclosed
US-20040143001-A1 Novel compounds and uses thereof DESTINY PHARMA LIMITED 2004-07-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10206871-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, chemotherapy, immunotherapy, and any combination thereof CD274, PDCD1, PDCD1LG2 CLK4 4050/4885DYRK1A 2788/4885CYP1A2 4530/4885
US-20190209460-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF CD274, PDCD1, PDCD1LG2 CLK4 4110/4885DYRK1A 3146/4885CYP1A2 4492/4885
US-10780045-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, chemotherapy, immunotherapy, and any combination thereof CD274, PDCD1, PDCD1LG2 CLK4 4110/4885DYRK1A 3146/4885CYP1A2 4492/4885
US-10806694-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, radiodynamic therapy, chemotherapy, immunotherapy, and any combination thereof CD274, PDCD1, PDCD1LG2 CLK4 3829/4885DYRK1A 2669/4885CYP1A2 4677/4885
US-20180153796-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, RADIODYNAMIC THERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF CD274, PDCD1, PDCD1LG2 CLK4 3829/4885DYRK1A 2669/4885CYP1A2 4677/4885
US-20170231903-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF CD274, PDCD1, PDCD1LG2 CLK4 4050/4885DYRK1A 2788/4885CYP1A2 4530/4885
US-20070167619-A1 Novel uses of porphyrin compounds PPOX, ZFX, ZYX CLK4 2281/4885DYRK1A 2013/4885CYP1A2 1592/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH CLK4 3776/4885DYRK1A 2090/4885CYP1A2 62/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR CLK4 3374/4885DYRK1A 1177/4885CYP1A2 66/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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