SCHEMBL16006484

SCHEMBL16006484

COc1ccc(C)c2c1c(N)nn2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ MAPT P10636 2/20 0.37
▸ SRC P12931 5/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ HCK P08631 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ CASR P41180 3/20 0.35
▸ DCPS Q96C86 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL16158053 0.82 MAPT (0.36) MAPTSRCABL1PIK3CDEGFR
SCHEMBL15995719 0.82 PIK3CD (0.35) CYP19A1NQO2MAPTSRCABL1
SCHEMBL16157998 0.81 BRD9 (0.40) CYP19A1NQO2MAPTSRCABL1
SCHEMBL16154718 0.80 KCNA5 (0.36) CYP19A1NQO2SRCABL1PIK3CD
SCHEMBL26033285 0.78 CYP19A1 (0.40) CYP19A1NQO2MAPTSRCABL1
SCHEMBL16006511 0.76 HTT (0.35) MAPTSRCABL1PIK3CDEGFR
SCHEMBL16006423 0.72 LMNA (0.40) MAPTSRCABL1PIK3CDEGFR
SCHEMBL16006818 0.72 CCR4 (0.41) CYP19A1NQO2MAPTALDH1A1MEN1
SCHEMBL15995815 0.71 KCNA5 (0.51) MAPTDCPSALDH1A1MEN1NPC1
SCHEMBL15996052 0.69 PIK3CD (0.33) SRCABL1PIK3CDEGFRHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021262990-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2021-12-30 — — WO disclosed
WO-2016033243-A9 ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2016-05-19 — — WO disclosed
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 — — US disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 — — US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 — — US disclosed
WO-2014134566-A2 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-09-04 — — 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 (3 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-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 CYP19A1 677/4885NQO2 757/4885MAPT 1547/4885
US-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD CYP19A1 854/4885NQO2 781/4885MAPT 1618/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD CYP19A1 854/4885NQO2 781/4885MAPT 1618/4885

“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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