SCHEMBL2996263

SCHEMBL2996263

Cc1c(C(N)=O)cccc1-c1cc(N)c2nccn2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.41
SYK P43405 8/20 0.40
TLR8 Q9NR97 1/20 0.38
TGFBR1 P36897 3/20 0.38
MAP4K2 Q12851 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
MAPK13 O15264 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKCG P05129 1/20 0.38
CDK1 P06493 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38

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
SCHEMBL2996265 0.83 TGFBR1 (0.40) HDAC6SYKTGFBR1BTK
SCHEMBL4080600 0.83 BTK (0.42) HDAC6SYKBTK
SCHEMBL4080189 0.81 BTK (0.44) HDAC6BTK
SCHEMBL13765539 0.76 BTK (0.47) MAPK1BTK
SCHEMBL4095334 0.76 BTK (0.38) HDAC6SYKMAPK8MKNK2BTK
SCHEMBL2990633 0.75 BTK (0.64) SYKBTK
SCHEMBL28401528 0.74 HDAC6 (0.48) HDAC6
SCHEMBL4080605 0.73 BTK (0.43) HDAC6SYKTLR8BTK
SCHEMBL27388140 0.72 PKMYT1 (0.38) HDAC6SYKTLR8TGFBR1MAP4K2
SCHEMBL13212628 0.71 CCNE2 (0.41) JAK2MAP4K4CDK2JAK3

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 4 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
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 HDAC6 1266/4885SYK 2/4885TLR8 1288/4885

“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.