SCHEMBL13771354

SCHEMBL13771354

CNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(C(C)=O)cc3)c2C)cn2ccnc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.54
HDAC6 Q9UBN7 2/20 0.42
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 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
SCHEMBL13821341 0.93 BTK (0.54) BTKHDAC6MAPTTP53RAF1
SCHEMBL4081148 0.91 BTK (0.55) BTKHDAC6MAPTTP53RAF1
SCHEMBL2999693 0.91 BTK (0.65) BTK
SCHEMBL4095817 0.90 BTK (0.58) BTKHDAC6RAF1BRAF
SCHEMBL4090496 0.90 BTK (0.52) BTKHDAC6MAPT
SCHEMBL4080570 0.90 BTK (0.52) BTKHDAC6
SCHEMBL4091778 0.89 BTK (0.51) BTKHDAC6MAPTTP53
SCHEMBL4091659 0.88 BTK (0.51) BTKHDAC6MAPTTP53RAF1
SCHEMBL4087271 0.87 BTK (0.55) BTKHDAC6RAF1BRAF
SCHEMBL13771312 0.87 BTK (0.55) BTKHDAC6RAF1BRAF

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 1 patent. 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 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 1266/4885MAPT 4151/4885

“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.