SCHEMBL3013398

SCHEMBL3013398

COc1ccc(CN(c2ccccc2)c2cc(NC3CCC(NC(=O)O)CC3)nn3c(Br)cnc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 1/20 0.36
▸ CHRM1 P11229 3/20 0.35
▸ CHRM3 P20309 3/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ NOS3 P29474 2/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ NOS2 P35228 2/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ CHRM5 P08912 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TTK P33981 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 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
SCHEMBL3022795 0.91 PIK3CA (0.38) AGTR2CHRM1CHRM3SIGMAR1CHRM2
SCHEMBL3529117 0.90 CCNE1 (0.41) PIM1FYN
SCHEMBL3529122 0.90 CCNE1 (0.41) PIM1FYN
SCHEMBL3026839 0.82 TYK2 (0.47) CHRM1CHRM3CHRM2
SCHEMBL3026837 0.82 TYK2 (0.47) CHRM1CHRM3CHRM2
SCHEMBL178412 0.82 PIK3CA (0.38) CHRM1CHRM3CHRM2TP53MCHR1
SCHEMBL3527158 0.78 CCNE1 (0.39) PIM1
SCHEMBL3527159 0.78 CCNE1 (0.39) PIM1
SCHEMBL3025027 0.77 PDE1B (0.37) AGTR2TP53
SCHEMBL3530208 0.75 CCNE1 (0.37) PIM1NPC1RAB9A

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 AGTR2 557/4885CHRM1 1429/4885CHRM3 2022/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 AGTR2 617/4885CHRM1 1140/4885CHRM3 984/4885

“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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