SCHEMBL13765441

SCHEMBL13765441

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.49
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
ALDH1A1 P00352 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
MAPT P10636 1/20 0.37
FAAH O00519 1/20 0.37
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
PDCD1 Q15116 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 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
SCHEMBL13765445 0.90 BTK (0.47) BTKHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL13765448 0.89 BTK (0.46) BTKHDAC1HDAC2RAB9ANPC1
SCHEMBL13765539 0.87 BTK (0.47) BTKHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL13765444 0.85 BTK (0.46) BTKCD274FAAHPDCD1
SCHEMBL13765478 0.85 BTK (0.43) BTKHDAC2CD274PDCD1
SCHEMBL4080605 0.82 BTK (0.43) BTKHDAC1HDAC2ALDH1A1POLB
SCHEMBL13765455 0.82 BTK (0.43) BTKCD274FAAH
SCHEMBL13771354 0.81 BTK (0.54) BTKMAPT
SCHEMBL13821341 0.81 BTK (0.54) BTKMAPT
SCHEMBL13771751 0.81 BTK (0.47) BTKCD274POLBKMT2A

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 5 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
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO 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 1/4885HDAC3 2611/4885HDAC1 1180/4885

“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.