SCHEMBL4590347

SCHEMBL4590347

C=CC(=O)Nc1ccc2ncn(-c3cncc(Nc4cc(Cl)ccc4C)n3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.70
JAK3 P52333 4/20 0.70
KDR P35968 2/20 0.70
STK16 O75716 1/20 0.70
FYN P06241 1/20 0.70
SRC P12931 1/20 0.70
FLT1 P17948 1/20 0.70
JAK2 O60674 1/20 0.67
EGFR P00533 7/20 0.42
ITK Q08881 1/20 0.42
LCK P06239 2/20 0.42
PDGFRA P16234 2/20 0.39
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
LYN P07948 1/20 0.37
MAPK3 P27361 1/20 0.37
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
FLT3 P36888 1/20 0.36
BLK P51451 1/20 0.36

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
SCHEMBL1678924 0.92 BTK (0.72) BTKJAK3KDRSTK16FYN
SCHEMBL1679293 0.89 BTK (0.79) BTKJAK3KDRSTK16FYN
SCHEMBL12807544 0.85 BTK (0.79) BTKJAK3KDRSTK16FYN
SCHEMBL12807642 0.85 KDR (0.82) BTKJAK3KDRSTK16FYN
SCHEMBL12807466 0.85 BTK (0.84) BTKJAK3KDRSTK16FYN
SCHEMBL12807541 0.84 BTK (0.77) BTKJAK3KDRSTK16FYN
SCHEMBL1679553 0.84 JAK3 (0.71) BTKJAK3KDRSTK16FYN
SCHEMBL1679332 0.84 BTK (0.73) BTKJAK3KDRSTK16FYN
SCHEMBL1679413 0.83 JAK3 (0.80) BTKJAK3KDRSTK16FYN
SCHEMBL1679542 0.82 BTK (0.73) BTKJAK3KDRSTK16FYN

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-8329737-B2 Benzimidazoles as selective kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2012-12-11 US disclosed
EP-1704145-B1 SELECTIVE KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2012-06-13 EP disclosed
US-20110082142-A1 SELECTIVE KINASE INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-04-07 US disclosed
US-20080207613-A1 Selective Kinase Inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2008-08-28 US disclosed
US-20080207613-A1 Selective Kinase Inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2008-08-28 US disclosed
US-20080207613-A1 Selective Kinase Inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2008-08-28 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 (2 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-20110082142-A1 SELECTIVE KINASE INHIBITORS LCK, CHUK, CSK BTK 7/4885JAK3 47/4885KDR 1385/4885
US-20080207613-A1 Selective Kinase Inhibitors LCK, CHUK, CSK BTK 7/4885JAK3 47/4885KDR 1385/4885

“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.