SCHEMBL1782591

SCHEMBL1782591

COC(=O)c1ccc(Nc2nc(-c3cccc(N)c3C)nc3nccn23)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.49
ROCK1 Q13464 1/20 0.43
BTK Q06187 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL1784987 0.85 MAPT (0.46) PTK2MEN1KMT2AMAPTPOLB
SCHEMBL1783721 0.84 BTK (0.62) BTKMAPTHPGD
SCHEMBL1782749 0.79 BTK (0.46) PTK2BTK
SCHEMBL12652051 0.76 BTK (0.51) ROCK1BTKMEN1KMT2AMAPT
SCHEMBL1782535 0.70 BTK (0.48) BTKKMT2AMAPTKDM4EHPGD
SCHEMBL1786038 0.69 BTK (0.56) BTKMAPTHPGD
SCHEMBL29788171 0.69 EGFR (0.49) KMT2AMAPTKDM4EHPGDL3MBTL1
SCHEMBL2038076 0.69 EGFR (0.49) KMT2AMAPTKDM4EHPGDL3MBTL1
SCHEMBL3314043 0.68 HPGD (0.49) PTK2MEN1KMT2AMAPTJAK1
SCHEMBL3311997 0.68 ALDH1A1 (0.49) PTK2MEN1KMT2AMAPTNPSR1

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 PTK2 179/4885ROCK1 269/4885BTK 1/4885

“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.