SCHEMBL3023355

SCHEMBL3023355

COc1ccc(CN(c2ccccc2)c2cc(-c3ccc(F)c(C#N)c3)nn3ccnc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CYP19A1 P11511 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ STS P08842 1/20 0.33
▸ FNTA P49354 2/20 0.33
▸ FNTB P49356 2/20 0.33
▸ PGGT1B P53609 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SYK P43405 2/20 0.33
▸ PLA2G7 Q13093 2/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL3023245 0.93 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1CNR1NPC1
SCHEMBL3022050 0.83 CYP19A1 (0.37) CYP19A1CNR1NPC1RAB9AFNTA
SCHEMBL3010219 0.78 CYP19A1 (0.39) CYP19A1MEN1MAPTKMT2A
SCHEMBL3012557 0.78 EGFR (0.35) CYP19A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3023816 0.78 CYP19A1 (0.35) CYP19A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3014592 0.76 CYP19A1 (0.37) CYP19A1MEN1MAPTKMT2A
SCHEMBL16515936 0.75 CYP19A1 (0.42) CYP19A1CNR1SMN1; SMN2MEN1MAPT
SCHEMBL3013620 0.72 ALDH1A1 (0.38) CYP19A1NPC1RAB9AFNTAFNTB
SCHEMBL3022229 0.70 CLPP (0.38) CNR1MEN1MAPTKMT2A
SCHEMBL3019759 0.67 MEN1 (0.55) SMN1; SMN2MEN1KMT2A

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 CYP11B1 1688/4885CYP11B2 1303/4885CYP19A1 1368/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 CYP11B1 2068/4885CYP11B2 1667/4885CYP19A1 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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