SCHEMBL13765445

SCHEMBL13765445

CCNC(=O)Nc1cc(-c2cccc(NC(=O)N3CCCC3)c2C)cn2ccnc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.47
CD274 Q9NZQ7 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 1/20 0.37
FAAH O00519 1/20 0.37
PDCD1 Q15116 1/20 0.37
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 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
SCHEMBL13765441 0.90 BTK (0.49) BTKCD274MAPTFAAHPDCD1
SCHEMBL13765539 0.84 BTK (0.47) BTKCD274HDAC3HDAC1HDAC2
SCHEMBL4080195 0.83 BTK (0.45) BTKHDAC6HDAC1
SCHEMBL4080189 0.82 BTK (0.44) BTKHDAC6
SCHEMBL13771351 0.81 BTK (0.56) BTKCD274HDAC6MAPTHDAC1
SCHEMBL3000846 0.81 BTK (0.70) BTKHDAC6
SCHEMBL4096542 0.80 BTK (0.55) BTKHDAC6MAPTALDH1A1RAB9A
SCHEMBL13765448 0.80 BTK (0.46) BTKHDAC6HDAC1HDAC2RAB9A
SCHEMBL13821336 0.79 HDAC1 (0.32) BTKHDAC3HDAC1HDAC2
SCHEMBL13771751 0.78 BTK (0.47) BTKCD274HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
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
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 1/4885CD274 1756/4885HDAC6 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.