SCHEMBL3014592

SCHEMBL3014592

COc1ccc(CN(c2ccccc2)c2cc(CN)nn3ccnc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.37
▸ ADORA2A P29274 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ OPRM1 P35372 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
SCHEMBL3010219 0.87 CYP19A1 (0.39) CYP19A1LMNAMAPTALDH1A1TSHR
SCHEMBL3022050 0.84 CYP19A1 (0.37) CYP19A1LMNAMAPTALDH1A1TSHR
SCHEMBL16515936 0.83 CYP19A1 (0.42) CYP19A1LMNAMAPTALDH1A1TSHR
SCHEMBL3022229 0.83 CLPP (0.38) MAPTMEN1HTR1AKMT2ASIGMAR1
SCHEMBL3019759 0.80 MEN1 (0.55) ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL3023816 0.77 CYP19A1 (0.35) CYP19A1ADORA2ALMNAMAPTALDH1A1
SCHEMBL3012557 0.77 EGFR (0.35) CYP19A1ADORA2AMAPTALDH1A1EGFR
SCHEMBL3023245 0.76 CYP11B1 (0.43) CYP19A1
SCHEMBL3023355 0.76 CYP11B1 (0.36) CYP19A1MAPTMEN1KMT2A
SCHEMBL31528267 0.72 LMNA (0.41) CYP19A1LMNAMAPTALDH1A1TSHR

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 CYP19A1 1368/4885ADORA2A 1448/4885LMNA 4313/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 CYP19A1 2013/4885ADORA2A 1518/4885LMNA 4523/4885

“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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