SCHEMBL4090817

SCHEMBL4090817

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(NC(=O)NC(C)C)c2nccn2n1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.63
PPARG P37231 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MEN1 O00255 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
EIF4H Q15056 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4090528 0.91 BTK (0.65) BTKPPARGNR1H4MEN1PABPC1
SCHEMBL4095483 0.90 BTK (0.65) BTKPPARGNR1H4MEN1PABPC1
SCHEMBL2932606 0.88 BTK (0.63) BTKPPARGNR1H4MEN1PABPC1
SCHEMBL4086768 0.87 BTK (0.61) BTKPPARGNR1H4MEN1PABPC1
SCHEMBL2990624 0.85 BTK (0.64) BTKPPARGNR1H4MEN1PABPC1
SCHEMBL4091766 0.84 BTK (0.58) BTK
SCHEMBL4086749 0.83 BTK (0.58) BTKPPARGNR1H4
SCHEMBL4080069 0.82 BTK (0.56) BTK
SCHEMBL13821203 0.82 BTK (0.55) BTK
SCHEMBL4095557 0.82 BTK (0.55) BTK

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 7 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

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.