SCHEMBL1679608

SCHEMBL1679608

Nc1ccc2ncn(-c3cccc(Br)n3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.49
MAP3K14 Q99558 8/20 0.46
ROCK1 Q13464 1/20 0.43
FGFR1 P11362 1/20 0.42
IRAK4 Q9NWZ3 4/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1679368 0.89 FGFR1 (0.56) LCKMAP3K14ROCK1FGFR1IRAK4
SCHEMBL9919118 0.83 LCK (0.49) LCKMAP3K14ROCK1FGFR1IRAK4
SCHEMBL4813477 0.80 POLB (0.60) LCKROCK1FGFR1IRAK4POLB
SCHEMBL29477147 0.77 FGFR1 (0.64) LCKMAP3K14ROCK1FGFR1IRAK4
SCHEMBL4590789 0.72 JAK3 (0.61) MAP3K14
SCHEMBL19848656 0.72 FGFR1 (0.76) FGFR1
SCHEMBL3298802 0.72 MKNK1 (0.50) LCKMAP3K14ROCK1FGFR1POLB
SCHEMBL2669851 0.72 LCK (0.43) LCKROCK1FGFR1IRAK4POLB
SCHEMBL20627632 0.72 FGFR1 (0.60) FGFR1
SCHEMBL7024457 0.71 LCK (0.55) LCKMAP3K14ROCK1

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 9 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
US-8329737-B2 Benzimidazoles as selective kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2012-12-11 US disclosed
US-8329737-B2 Benzimidazoles as selective kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2012-12-11 US disclosed
US-20110082142-A1 SELECTIVE KINASE INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-04-07 US disclosed
US-20110082142-A1 SELECTIVE KINASE INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-04-07 US 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 LCK 1/4885MAP3K14 35/4885ROCK1 991/4885
US-20080207613-A1 Selective Kinase Inhibitors LCK, CHUK, CSK LCK 1/4885MAP3K14 35/4885ROCK1 991/4885

“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.