SCHEMBL4080600

SCHEMBL4080600

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.42
IKBKB O14920 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CFD P00746 1/20 0.36
SYK P43405 5/20 0.36
EPHB4 P54760 2/20 0.36
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4080189 0.89 BTK (0.44) BTKHDAC6KDM4ECFD
SCHEMBL4080605 0.88 BTK (0.43) BTKHDAC6POLBTDP1CFD
SCHEMBL4095334 0.84 BTK (0.38) BTKHDAC6CFDSYK
SCHEMBL2996263 0.83 HDAC6 (0.41) BTKHDAC6SYK
SCHEMBL13771354 0.81 BTK (0.54) BTKHDAC6
SCHEMBL13821341 0.81 BTK (0.54) BTKHDAC6
SCHEMBL13771751 0.81 BTK (0.47) BTKHDAC6POLBTDP1SYK
SCHEMBL13765441 0.81 BTK (0.49) BTKKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL4090596 0.80 SYK (0.48) BTKIKBKBKDM4EPOLBTDP1
SCHEMBL13765448 0.79 BTK (0.46) BTKHDAC6SMN1; SMN2

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 1/4885IKBKB 50/4885HDAC6 1266/4885

“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.