SCHEMBL1786038

SCHEMBL1786038

Cc1c(N)cccc1-c1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)n2cc(NC(=O)O)nc2n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.56
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
MAPK10 P53779 1/20 0.43

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
SCHEMBL1783650 0.90 BTK (0.52) BTKALDH1A1MAPTHPGDHTT
SCHEMBL1786463 0.88 BTK (0.44) BTKALDH1A1MAPTHPGDHTT
SCHEMBL1783721 0.85 BTK (0.62) BTKALDH1A1MAPTHPGDHTT
SCHEMBL1784111 0.85 BTK (0.68) BTK
SCHEMBL3316080 0.81 CCNA2 (0.45) BTKALDH1A1MAPTHPGDHTT
SCHEMBL1786066 0.79 BTK (0.44) BTKALDH1A1MAPTHPGDHTT
SCHEMBL1783123 0.78 BTK (0.71) BTK
SCHEMBL1786244 0.78 BTK (0.64) BTK
SCHEMBL1783861 0.77 BTK (0.45) BTKALDH1A1MAPTHPGDHTT
SCHEMBL1782589 0.73 BTK (0.43) BTKALDH1A1MAPTMAPK10

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 1/4885ALDH1A1 4119/4885MAPT 4394/4885

“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.