SCHEMBL610349

SCHEMBL610349

Cn1nc(Cl)cc(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cn2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
WNT3A P56704 1/20 0.45
MKNK1 Q9BUB5 2/20 0.44
PDE4B Q07343 1/20 0.43
TP53 P04637 4/20 0.41
PIK3CA P42336 2/20 0.41
PRKDC P78527 2/20 0.41
MTOR P42345 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
HPGDS O60760 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
TTK P33981 1/20 0.39
JAK1 P23458 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL612067 1.00 DDB1 (0.51) DDB1CRBNWNT3AMKNK1PDE4B
SCHEMBL610780 1.00 DDB1 (0.51) DDB1CRBNWNT3AMKNK1PDE4B
SCHEMBL608702 0.95 DDB1 (0.56) DDB1CRBNWNT3AMKNK1TP53
SCHEMBL610397 0.84 FASN (0.43) DDB1CRBNWNT3A
SCHEMBL627707 0.83 TYK2 (0.36) DDB1CRBNCCNA2CDK2
SCHEMBL610863 0.83 CDK6 (0.41) CCNA2CDK2
SCHEMBL607847 0.83 CDK6 (0.41) CCNA2CDK2
SCHEMBL611366 0.83 CDK6 (0.41) CCNA2CDK2
SCHEMBL29741997 0.82 GPR119 (0.41) TP53LMNA
SCHEMBL14926034 0.82 GPR119 (0.41) TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 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 (2 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN DDB1 1288/4885CRBN 825/4885WNT3A 4288/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN DDB1 1288/4885CRBN 825/4885WNT3A 4288/4885

“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.