SCHEMBL17687649

SCHEMBL17687649

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ KMT2A Q03164 2/20 0.37

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
SCHEMBL433808 0.91 DYRK1A (0.49) DYRK1ACLK4NPC1RAB9ATP53
SCHEMBL5011851 0.77 ALDH1A1 (0.31) —
SCHEMBL5015257 0.77 CYP1A1 (0.39) DYRK1ACLK4NPC1RAB9ATP53
SCHEMBL17681580 0.75 GCGR (0.41) DYRK1ACLK4MAOB
SCHEMBL498496 0.75 CYP1B1 (0.42) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL1680192 0.72 ME2 (0.43) DYRK1ACLK4NPC1RAB9ATP53
Hydrochloric Acid SCHEMBL5534014 0.71 ME2 (0.42) DYRK1ACLK4NPC1RAB9ATP53
SCHEMBL14806854 0.70 MAOA (0.40) CYP1A2CYP2C9CYP2C19HDAC4HDAC8
SCHEMBL584885 0.70 TSHR (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL14806869 0.70 MAOA (0.40) CYP1A2CYP2C9CYP2C19HDAC4HDAC8

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3206987-B2 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF UNIV CHICAGO (US) 2024-07-24 — — EP disclosed
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
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
WO-2016061256-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF THE UNIVERSITY OF CHICAGO (US) 2016-04-21 — — WO 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 (6 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 DYRK1A 2788/4885CLK4 4050/4885NPC1 1338/4885
US-20190209460-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF CD274, PDCD1, PDCD1LG2 DYRK1A 3146/4885CLK4 4110/4885NPC1 1086/4885
US-10780045-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, chemotherapy, immunotherapy, and any combination thereof CD274, PDCD1, PDCD1LG2 DYRK1A 3146/4885CLK4 4110/4885NPC1 1086/4885
US-10806694-B2 Nanoparticles for photodynamic therapy, X-ray induced photodynamic therapy, radiotherapy, radiodynamic therapy, chemotherapy, immunotherapy, and any combination thereof CD274, PDCD1, PDCD1LG2 DYRK1A 2669/4885CLK4 3829/4885NPC1 1372/4885
US-20180153796-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, RADIODYNAMIC THERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF CD274, PDCD1, PDCD1LG2 DYRK1A 2669/4885CLK4 3829/4885NPC1 1372/4885
US-20170231903-A1 NANOPARTICLES FOR PHOTODYNAMIC THERAPY, X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF CD274, PDCD1, PDCD1LG2 DYRK1A 2788/4885CLK4 4050/4885NPC1 1338/4885

“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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