SCHEMBL3013620

SCHEMBL3013620

COc1ccc(CN(c2ccccc2)c2c(C#N)c(Cl)nn3ccnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP19A1 P11511 2/20 0.37
▸ MAPT P10636 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NR1D1 P20393 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ CTSL P07711 2/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL3023902 0.85 ALDH1A1 (0.41) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL3022050 0.80 CYP19A1 (0.37) ALDH1A1HPGDCYP19A1MAPTKMT2A
SCHEMBL3010219 0.78 CYP19A1 (0.39) ALDH1A1CYP19A1MAPTKMT2AMEN1
SCHEMBL16515936 0.74 CYP19A1 (0.42) ALDH1A1CYP19A1MAPTKMT2AMEN1
SCHEMBL3023355 0.72 CYP11B1 (0.36) CYP19A1MAPTKMT2AMEN1NPC1
SCHEMBL3023245 0.72 CYP11B1 (0.43) CYP19A1NPC1RAB9AFNTAFNTB
SCHEMBL3014592 0.72 CYP19A1 (0.37) ALDH1A1CYP19A1MAPTKMT2AMEN1
SCHEMBL4782774 0.69 ALDH1A1 (0.43) ALDH1A1HPGDCYP19A1MAPTKMT2A
SCHEMBL2358823 0.68 NR1D1 (0.36) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL31528267 0.68 LMNA (0.41) ALDH1A1CYP19A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 — — US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 — — US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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 (2 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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 ALDH1A1 3952/4885HPGD 2387/4885CYP19A1 1368/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 ALDH1A1 4291/4885HPGD 3457/4885CYP19A1 2013/4885

“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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