SCHEMBL4080189

SCHEMBL4080189

CCNC(=O)Nc1cc(-c2cccc(C(N)=O)c2C)cn2ccnc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.44
HDAC6 Q9UBN7 3/20 0.41
GAA P10253 1/20 0.38
CFD P00746 1/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4080600 0.89 BTK (0.42) BTKHDAC6CFDKDM4E
SCHEMBL4080195 0.89 BTK (0.45) BTKHDAC6CFD
SCHEMBL4095334 0.87 BTK (0.38) BTKHDAC6CFD
SCHEMBL13765445 0.82 BTK (0.47) BTKHDAC6
SCHEMBL4093079 0.81 SYK (0.46) BTKGAAAURKARPS6KB1KDM4E
SCHEMBL2996263 0.81 HDAC6 (0.41) BTKHDAC6
SCHEMBL13771351 0.81 BTK (0.56) BTKHDAC6
SCHEMBL3000846 0.81 BTK (0.70) BTKHDAC6
SCHEMBL4096542 0.80 BTK (0.55) BTKHDAC6
SCHEMBL4080605 0.77 BTK (0.43) BTKHDAC6CFDAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US claimed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 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 (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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN BTK 1/4885HDAC6 1266/4885GAA 2507/4885

“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.