SCHEMBL17687653

SCHEMBL17687653

COc1cccc(C2=C(c3cccc(OC)c3)C3=NC2=CC2=NC(=CC4=NC(=CC5=NC(=C3)C=C5)C=C4)C=C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 2/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ TDO2 P48775 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NISCH Q9Y2I1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33

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
SCHEMBL435367 0.81 GAA (0.33) CLK4DYRK1ACYP19A1NOTUMCCNB2
SCHEMBL226836 0.80 — —
SCHEMBL2948399 0.80 DYRK1A (0.40) CLK4DYRK1ATDO2NOTUMCCNB2
SCHEMBL5013694 0.72 — —
SCHEMBL513049 0.68 — —
SCHEMBL9591258 0.68 TSHR (0.35) CYP2D6SMN1; SMN2TSHR
SCHEMBL2942317 0.68 CYP1A1 (0.34) CCNB2CDK1CCNB1GSK3AGSK3B
Hydrochloric Acid SCHEMBL5014143 0.68 CYP3A4 (0.32) CYP3A4CYP2D6
SCHEMBL6804334 0.67 CYP1A1 (0.33) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL433808 0.66 DYRK1A (0.49) CLK4DYRK1ATDO2NOTUMCCNB2

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 CLK4 4050/4885DYRK1A 2788/4885TDO2 1050/4885
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 3146/4885TDO2 1007/4885
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 3146/4885TDO2 1007/4885
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 2669/4885TDO2 662/4885
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 2669/4885TDO2 662/4885
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 2788/4885TDO2 1050/4885

“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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