SCHEMBL4095544

SCHEMBL4095544

CCNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(C4CC4)cc3)c2CO)nn2ccnc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.42
HDAC1 Q13547 1/20 0.39
SYK P43405 10/20 0.37
RAF1 P04049 2/20 0.36
JAK2 O60674 1/20 0.35
NPY2R P49146 1/20 0.35
MTTP P55157 1/20 0.35

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
SCHEMBL4085680 0.94 BTK (0.41) BTKHDAC1SYKRAF1JAK2
SCHEMBL4091691 0.92 BTK (0.43) BTKHDAC1SYKRAF1JAK2
SCHEMBL4091640 0.92 BTK (0.42) BTKSYKRAF1
SCHEMBL4085122 0.90 BTK (0.43) BTKSYKRAF1
SCHEMBL4090244 0.85 BTK (0.44) BTKSYKJAK2
SCHEMBL4096761 0.84 BTK (0.43) BTKHDAC1NPY2RMTTP
SCHEMBL4084430 0.83 BTK (0.44) BTKSYK
SCHEMBL4084940 0.82 BTK (0.44) BTKSYK
SCHEMBL13821205 0.82 BTK (0.40) BTKHDAC1SYKRAF1
SCHEMBL13771582 0.79 BTK (0.52) BTKSYKRAF1

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 1/4885HDAC1 1180/4885SYK 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.