SCHEMBL1786463

SCHEMBL1786463

Cc1c(-c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)n3cc(NC(=O)O)nc3n2)cccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1786066 0.91 BTK (0.44) BTKKMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL1783861 0.90 BTK (0.45) BTKKMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL1786038 0.88 BTK (0.56) BTKALDH1A1MAPTHPGDHTT
SCHEMBL1782535 0.86 BTK (0.48) BTKKMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL1782589 0.85 BTK (0.43) BTKKMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL1784111 0.82 BTK (0.68) BTK
SCHEMBL1783650 0.79 BTK (0.52) BTKALDH1A1MAPTHPGDHTT
SCHEMBL3316080 0.78 CCNA2 (0.45) BTKALDH1A1MAPTHPGDHTT
SCHEMBL1786244 0.75 BTK (0.64) BTK
SCHEMBL1785917 0.75 BTK (0.55) BTKKMT2AL3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476430-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-02 US disclosed
EP-2323665-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-06-19 EP disclosed
US-20110124640-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 US disclosed
EP-2323665-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Bristol-Myers Squibb Company (US) 2011-05-25 EP disclosed
WO-2010011837-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-28 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 (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-20110124640-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 BTK 1/4885KMT2A 715/4885L3MBTL1 1648/4885

“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.