SCHEMBL3880151

SCHEMBL3880151

Nc1ccc(-n2ccc3cnc(NC(=O)O)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 5/20 0.40
▸ DHODH Q02127 1/20 0.37
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ CDC7 O00311 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ ABL1 P00519 4/20 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
SCHEMBL3884342 0.83 PTK2 (0.42) MAP3K5CDC7MAPTPTK2FGFR1
SCHEMBL3884332 0.83 PTK2 (0.42) MAP3K5CDC7MAPTPTK2FGFR1
SCHEMBL3880855 0.83 GSK3B (0.46) MAP3K5CDK2HDAC1ABL1AURKA
SCHEMBL28017755 0.72 MAP3K5 (0.61) MAP3K5SRCLYN
SCHEMBL3879873 0.71 CSF1R (0.36) FLT3MAPK13CSF1RKDRMAPK12
SCHEMBL28017739 0.71 MAP3K5 (0.71) MAP3K5ABL1SRCGSK3BDYRK1A
SCHEMBL24377672 0.69 DYRK1A (0.39) MAP3K5ABL1GSK3BDYRK1A
SCHEMBL13759651 0.69 POLB (0.47) MAPTPTK2
SCHEMBL28017172 0.68 MAP3K5 (0.70) MAP3K5JAK2TYK2GSK3BDYRK1A
SCHEMBL477342 0.67 PTGS1 (0.55) PTGS1MAPTPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566784-B2 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-28 — — US disclosed
EP-1742948-A2 BICYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-17 — — EP disclosed
WO-2005116028-A2 BICYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-08 — — WO disclosed
US-20050239820-A1 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 — — 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 (1 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-20050239820-A1 Bicyclic heterocycles as kinase inhibitors CDK2, ABL1, CDKN1A MAP3K5 22/4885DHODH 804/4885F2 4063/4885

“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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