SCHEMBL1678616

SCHEMBL1678616

C=CC(=O)Nc1ccc2ncn(-c3cncc(Nc4ccccc4)n3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 1.00
JAK3 P52333 7/20 1.00
FYN P06241 3/20 1.00
SRC P12931 3/20 1.00
STK16 O75716 1/20 1.00
FLT1 P17948 1/20 1.00
KDR P35968 1/20 1.00
JAK2 O60674 1/20 0.73
EGFR P00533 8/20 0.48
ITK Q08881 2/20 0.43
VCP P55072 1/20 0.43
FLT3 P36888 2/20 0.42
BLK P51451 2/20 0.42

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
SCHEMBL12807466 0.91 BTK (0.84) BTKJAK3FYNSRCSTK16
SCHEMBL12807642 0.90 KDR (0.82) BTKJAK3FYNSRCSTK16
SCHEMBL12807638 0.89 BTK (0.79) BTKJAK3FYNSRCSTK16
SCHEMBL12807544 0.88 BTK (0.79) BTKJAK3FYNSRCSTK16
SCHEMBL1679293 0.88 BTK (0.79) BTKJAK3FYNSRCSTK16
SCHEMBL1679413 0.87 JAK3 (0.80) BTKJAK3FYNSRCSTK16
SCHEMBL12807541 0.87 BTK (0.77) BTKJAK3FYNSRCSTK16
SCHEMBL12807501 0.87 JAK3 (0.76) BTKJAK3FYNSRCSTK16
SCHEMBL12807546 0.86 JAK3 (0.75) BTKJAK3FYNSRCSTK16
SCHEMBL1678960 0.86 JAK3 (0.75) BTKJAK3FYNSRCSTK16

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
EP-1704145-B1 SELECTIVE KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2012-06-13 EP 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-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 47/4885FYN 38/4885
US-20080207613-A1 Selective Kinase Inhibitors LCK, CHUK, CSK BTK 7/4885JAK3 47/4885FYN 38/4885

“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.