SCHEMBL3891618

SCHEMBL3891618

CC(C)(C)OC(=O)Nc1nccc2c1ccn2-c1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.37
▸ DGAT1 O75907 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ KDR P35968 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ HCK P08631 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ CSF1R P07333 2/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SYK P43405 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
SCHEMBL3879873 0.83 CSF1R (0.36) KDRPIK3CGCSF1RFLT3
SCHEMBL13759620 0.82 MAPT (0.43) BRD4NPSR1CYP17A1
SCHEMBL13759623 0.78 GPR119 (0.33) GPR119
SCHEMBL13759619 0.75 MET (0.45) MAP4K4KDRABL1HCKSRC
SCHEMBL3880855 0.75 GSK3B (0.46) DGAT1MAP4K4ABL1BRD4SYK
SCHEMBL390269 0.74 MAP4K4 (0.41) ATRMAP4K4KDRPIK3CDABL1
SCHEMBL15087023 0.70 GPR119 (0.52) GPR119
SCHEMBL15086953 0.70 PIP4K2A (0.58) MAP4K4ABL1PIK3CGBRD4NPSR1
SCHEMBL15264820 0.69 ATR (0.48) ATRMAP4K4NPSR1PRMT1CYP17A1
SCHEMBL28389860 0.68 MAP4K4 (0.43) ATRMAP4K4KDRPIK3CDABL1

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 6 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
US-7566784-B2 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-28 — — US disclosed
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 ATR 388/4885DGAT1 3543/4885MAP4K4 61/4885

“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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