SCHEMBL3025027

SCHEMBL3025027

COc1ccc(CN(c2ccccc2)c2cc(Cl)nn3c(Br)cnc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 8/20 0.37
▸ BCL2A1 Q16548 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ NR3C1 P04150 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ AGTR2 P50052 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL13422031 0.88 SMN1; SMN2 (0.36) PDE1BBCL2A1TP53NR3C1SMN1; SMN2
SCHEMBL3024933 0.88 TP53 (0.36) PDE1BBCL2A1TP53NR3C1SMN1; SMN2
SCHEMBL3017547 0.85 BCL2A1 (0.40) PDE1BBCL2A1TP53NR3C1SMN1; SMN2
SCHEMBL2358823 0.85 NR1D1 (0.36) PDE1BBCL2A1TP53NR3C1SMN1; SMN2
SCHEMBL26101562 0.84 PDE1B (0.40) PDE1BSMN1; SMN2
SCHEMBL3021969 0.84 BCL2A1 (0.39) PDE1BBCL2A1TP53NR3C1SMN1; SMN2
SCHEMBL3006550 0.81 KDM4E (0.37) PDE1BBCL2A1SMN1; SMN2GAACYP19A1
SCHEMBL3006554 0.81 KDM4E (0.37) PDE1BBCL2A1SMN1; SMN2GAACYP19A1
SCHEMBL3010219 0.81 CYP19A1 (0.39) BCL2A1TP53CYP19A1
SCHEMBL3529117 0.79 CCNE1 (0.41) —

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 — — EP disclosed
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
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 — — EP disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — US disclosed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 — — WO 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 (3 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 PDE1B 718/4885BCL2A1 2699/4885TP53 1484/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 PDE1B 576/4885BCL2A1 1776/4885TP53 1360/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 PDE1B 590/4885BCL2A1 1883/4885TP53 1460/4885

“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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