SCHEMBL3006550

SCHEMBL3006550

COc1ccc(CN(c2ccccc2)c2cc(Cl)nn3c(/C=C/c4ccncc4)cnc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TRPM8 Q7Z2W7 2/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ NTRK3 Q16288 1/20 0.34
▸ PKN2 Q16513 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ MKNK2 Q9HBH9 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
SCHEMBL3006554 1.00 KDM4E (0.37) KDM4ENPC1CYP1A2HPGDRAB9A
SCHEMBL3530211 0.82 CCNE1 (0.37) KDM4ENPC1CYP1A2HPGDRAB9A
SCHEMBL3530208 0.82 CCNE1 (0.37) KDM4ENPC1CYP1A2HPGDRAB9A
SCHEMBL3530210 0.82 CCNE1 (0.37) KDM4ENPC1CYP1A2HPGDRAB9A
SCHEMBL3025027 0.81 PDE1B (0.37) SMN1; SMN2GAAPDE1BBCL2A1CYP19A1
SCHEMBL13422031 0.81 SMN1; SMN2 (0.36) NPC1CYP1A2RAB9ASMN1; SMN2CYP3A4
SCHEMBL3024933 0.81 TP53 (0.36) SMN1; SMN2MAPTGAAPDE1BBCL2A1
SCHEMBL3022661 0.79 DHODH (0.42) NPC1CYP1A2RAB9ASMN1; SMN2CYP3A4
SCHEMBL2358823 0.79 NR1D1 (0.36) KDM4EHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL3017547 0.79 BCL2A1 (0.40) NPC1RAB9ASMN1; SMN2MAPTGAA

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 KDM4E 1137/4885NPC1 4017/4885CYP1A2 1367/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 KDM4E 1158/4885NPC1 4202/4885CYP1A2 1776/4885

“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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