SCHEMBL2986249

SCHEMBL2986249

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(NS(C)(=O)=O)c2nccn2c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.65
TRPV1 Q8NER1 2/20 0.52
SYK P43405 1/20 0.45
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
KMT2A Q03164 1/20 0.42
EIF4H Q15056 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
SCHEMBL2989793 0.88 BTK (0.67) BTKTRPV1SYKMEN1PABPC1
SCHEMBL4090906 0.88 BTK (0.66) BTKSYK
SCHEMBL2999693 0.87 BTK (0.65) BTKSYKMEN1PABPC1KMT2A
SCHEMBL2990633 0.86 BTK (0.64) BTKTRPV1SYK
SCHEMBL4080456 0.86 BTK (0.65) BTKSYK
SCHEMBL4080285 0.85 BTK (0.61) BTKTRPV1SYK
SCHEMBL4085005 0.85 BTK (0.61) BTKSYK
SCHEMBL3000846 0.84 BTK (0.70) BTKSYK
SCHEMBL4091142 0.82 BTK (0.65) BTKSYK
SCHEMBL4081138 0.81 BTK (0.58) BTKSYK

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 6 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
CN-101952283-B Imidazo [1,2-a ] pyridine and imidazo [1,2-b ] pyridazine derivatives HOFFMANN LA ROCHE 2013-04-17 CN disclosed
CN-101952283-A Novel imidazo [1,2-a ] pyridine and imidazo [1,2-b ] pyridazine derivatives HOFFMANN LA ROCHE 2011-01-19 CN disclosed
EP-2229390-A1 NOVEL IMIDAZOÝ1,2-A¨PYRIDINE AND IMIDAZOÝ1,2-B¨PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP 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 1/4885TRPV1 3445/4885SYK 2/4885

“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.