SCHEMBL1679441

SCHEMBL1679441

CC(C)(C)NC(=O)c1cncc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.50
CTSA P10619 1/20 0.43
S1PR3 Q99500 1/20 0.43
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
ANO1 Q5XXA6 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
MAPKAPK2 P49137 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
SCHEMBL158634 0.81 ALDH1A1 (0.36) GRM5POLBAPEX1CNR1CNR2
SCHEMBL2847725 0.80 GRM5 (0.54) GRM5CTSAS1PR3CNR1SCN2A
SCHEMBL29338001 0.79 CNR2 (0.37) GRM5CNR1CNR2ANO1ALDH1A1
SCHEMBL24609419 0.77 CNR2 (0.38) CNR1CNR2ANO1ALDH1A1LMNA
SCHEMBL15921102 0.76 GRM5 (0.50) GRM5CTSAS1PR3CNR1SCN2A
SCHEMBL7971902 0.76 CNR2 (0.46) GRM5CTSAPOLBCNR1CNR2
SCHEMBL16142949 0.75 POLB (0.41) POLBAPEX1CNR1ANO1
SCHEMBL17697617 0.74 SIRT6 (0.52) GRM5POLBAPEX1CNR2ANO1
SCHEMBL12091007 0.74 GRM5 (0.46) GRM5CTSAS1PR3SCN2ASCN10A
SCHEMBL30354632 0.74 GRM5 (0.46) GRM5CTSAS1PR3SCN2ASCN10A

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 10 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
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-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 GRM5 2467/4885CTSA 2911/4885S1PR3 1118/4885
US-20080207613-A1 Selective Kinase Inhibitors LCK, CHUK, CSK GRM5 2467/4885CTSA 2911/4885S1PR3 1118/4885

“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.