SCHEMBL3022050

SCHEMBL3022050

COc1ccc(CN(c2ccccc2)c2cc(C#N)nn3ccnc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.37
▸ TP53 P04637 2/20 0.35
▸ NR1D1 P20393 1/20 0.35
▸ MAPT P10636 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ SNCA P37840 1/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ PGGT1B P53609 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CHRM2 P08172 1/20 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
SCHEMBL3010219 0.87 CYP19A1 (0.39) CYP19A1TP53MAPTALDH1A1MEN1
SCHEMBL3014592 0.84 CYP19A1 (0.37) CYP19A1TP53MAPTALDH1A1MEN1
SCHEMBL3023245 0.83 CYP11B1 (0.43) CYP19A1NPC1RAB9AFNTAFNTB
SCHEMBL3023355 0.83 CYP11B1 (0.36) CYP19A1MAPTMEN1KMT2ANPC1
SCHEMBL16515936 0.83 CYP19A1 (0.42) CYP19A1TP53MAPTALDH1A1MEN1
SCHEMBL3013620 0.80 ALDH1A1 (0.38) CYP19A1TP53NR1D1MAPTALDH1A1
SCHEMBL3022229 0.77 CLPP (0.38) MAPTMEN1KMT2AHTR1ASIGMAR1
SCHEMBL3012557 0.77 EGFR (0.35) CYP19A1TP53MAPTALDH1A1NPC1
SCHEMBL3023816 0.77 CYP19A1 (0.35) CYP19A1MAPTALDH1A1NPC1RAB9A
SCHEMBL3019759 0.74 MEN1 (0.55) ALDH1A1MEN1KMT2ASIGMAR1

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 1368/4885TP53 1360/4885NR1D1 1102/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 CYP19A1 2013/4885TP53 1460/4885NR1D1 928/4885

“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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