SCHEMBL13765448

SCHEMBL13765448

CNC(=O)Nc1cc(-c2cccc(NC(=O)N3Cc4ccccc4C3)c2C)cn2ccnc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
TAS1R3 Q7RTX0 8/20 0.44
TAS1R1 Q7RTX1 8/20 0.44
TAS1R2 Q8TE23 8/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
NAMPT P43490 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL13765441 0.89 BTK (0.49) BTKRAB9ANPC1SMN1; SMN2HDAC1
SCHEMBL13765478 0.83 BTK (0.43) BTKHDAC2
SCHEMBL13765444 0.83 BTK (0.46) BTKHDAC6
SCHEMBL104029 0.81 BTK (0.51) BTKTAS1R3TAS1R1TAS1R2RAB9A
SCHEMBL4080605 0.81 BTK (0.43) BTKSMN1; SMN2HDAC1HDAC2HDAC6
SCHEMBL13765455 0.81 BTK (0.43) BTK
SCHEMBL13821341 0.80 BTK (0.54) BTKHDAC6
SCHEMBL13771354 0.80 BTK (0.54) BTKHDAC6
SCHEMBL13771751 0.80 BTK (0.47) BTKHDAC6
SCHEMBL13765445 0.80 BTK (0.47) BTKRAB9ANPC1HDAC1HDAC2

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 1/4885TAS1R3 1688/4885TAS1R1 1154/4885

“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.