SCHEMBL610397

SCHEMBL610397

Cn1nc(Cl)cc(Nc2ccc(C3CCN(C(=O)O)CC3)cn2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 6/20 0.43
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CDK4 P11802 5/20 0.38
CCND1 P24385 3/20 0.38
TYK2 P29597 2/20 0.36
GRM5 P41594 1/20 0.36
CDK6 Q00534 4/20 0.36
NAMPT P43490 1/20 0.36
WNT3A P56704 1/20 0.35
AXL P30530 1/20 0.35
SPR P35270 1/20 0.34
CSF1R P07333 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
SCHEMBL612205 0.94 FASN (0.40) FASNDDB1CRBNCDK4CCND1
SCHEMBL610903 0.92 FASN (0.43) FASNDDB1CRBNCDK4CCND1
SCHEMBL609068 0.89 CDK4 (0.45) FASNCDK4CCND1TYK2CDK6
SCHEMBL608702 0.87 DDB1 (0.56) FASNDDB1CRBNNAMPTWNT3A
SCHEMBL10201931 0.85 CCND1 (0.37) FASNDDB1CRBNCDK4CCND1
SCHEMBL612065 0.85 CCND1 (0.40) FASNCDK4CCND1TYK2CDK6
SCHEMBL610280 0.85 CDK6 (0.41) FASNCDK4CCND1TYK2CDK6
SCHEMBL626336 0.85 TYK2 (0.39) FASNDDB1CRBNCDK4CCND1
SCHEMBL610863 0.85 CDK6 (0.41) FASNCDK4CCND1TYK2CDK6
SCHEMBL611366 0.85 CDK6 (0.41) FASNCDK4CCND1TYK2CDK6

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 FASN 4211/4885DDB1 1288/4885CRBN 825/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN FASN 4211/4885DDB1 1288/4885CRBN 825/4885

“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.