SCHEMBL4080605

SCHEMBL4080605

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.43
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHB4 P54760 5/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CFD P00746 1/20 0.35
SYK P43405 1/20 0.35
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
AURKA O14965 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
SCHEMBL4080195 0.89 BTK (0.45) BTKEPHB4HDAC6HDAC1CFD
SCHEMBL4080600 0.88 BTK (0.42) BTKPOLBTDP1EPHB4HDAC6
SCHEMBL4095342 0.83 BTK (0.39) BTKPOLBTDP1EPHB4HDAC6
SCHEMBL13765441 0.82 BTK (0.49) BTKPOLBHDAC1HDAC2ALDH1A1
SCHEMBL13821341 0.82 BTK (0.54) BTKHDAC6RAF1BRAF
SCHEMBL13771354 0.82 BTK (0.54) BTKHDAC6RAF1BRAF
SCHEMBL13771751 0.82 BTK (0.47) BTKPOLBTDP1EPHB4HDAC6
SCHEMBL13765448 0.81 BTK (0.46) BTKHDAC6HDAC1HDAC2SMN1; SMN2
SCHEMBL2999693 0.81 BTK (0.65) BTKSMN1; SMN2SYK
SCHEMBL4081148 0.81 BTK (0.55) BTKTDP1HDAC6RAF1BRAF

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 1/4885POLB 1495/4885TDP1 314/4885

“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.