SCHEMBL4090528

SCHEMBL4090528

CNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C)nn2ccnc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.65
PPARG P37231 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
KMT2A Q03164 1/20 0.42
EIF4H Q15056 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL4091766 0.94 BTK (0.58) BTKSYK
SCHEMBL4095483 0.92 BTK (0.65) BTKPPARGNR1H4MEN1PABPC1
SCHEMBL4095557 0.91 BTK (0.55) BTKSYK
SCHEMBL13821203 0.91 BTK (0.55) BTKSYK
SCHEMBL4081255 0.91 BTK (0.55) BTKSYK
SCHEMBL4090817 0.91 BTK (0.63) BTKPPARGNR1H4MEN1PABPC1
SCHEMBL2932606 0.91 BTK (0.63) BTKPPARGNR1H4MEN1PABPC1
SCHEMBL4086768 0.89 BTK (0.61) BTKPPARGNR1H4MEN1PABPC1
SCHEMBL4090445 0.89 BTK (0.54) BTKNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL4086089 0.88 BTK (0.52) BTKMEN1KMT2ANPC1RAB9A

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 8 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-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
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 1/4885PPARG 3700/4885NR1H4 4256/4885

“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.