SCHEMBL4589057

SCHEMBL4589057

CC(C)(C)Nc1cncc(-n2cnc3ccc(NC(=O)/C=C/c4cccnc4)cc32)n1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.71
JAK2 O60674 1/20 0.71
STK16 O75716 1/20 0.55
FYN P06241 1/20 0.55
SRC P12931 1/20 0.55
FLT1 P17948 1/20 0.55
KDR P35968 1/20 0.55
BTK Q06187 1/20 0.55
NAMPT P43490 16/20 0.47
EGFR P00533 1/20 0.43

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
SCHEMBL1679643 1.00 JAK3 (0.71) JAK3JAK2STK16FYNSRC
SCHEMBL1679642 1.00 JAK3 (0.71) JAK3JAK2STK16FYNSRC
SCHEMBL1678700 0.86 JAK3 (0.81) JAK3JAK2STK16FYNSRC
SCHEMBL1678702 0.86 JAK3 (0.81) JAK3JAK2STK16FYNSRC
SCHEMBL9918917 0.84 JAK3 (0.69) JAK3JAK2STK16FYNSRC
SCHEMBL4589805 0.83 JAK3 (1.00) JAK3JAK2STK16FYNSRC
SCHEMBL12807652 0.82 JAK3 (0.75) JAK3JAK2STK16FYNSRC
SCHEMBL1679406 0.81 JAK3 (0.65) JAK3JAK2STK16FYNSRC
SCHEMBL1678732 0.78 JAK3 (0.76) JAK3JAK2STK16FYNSRC
SCHEMBL1678803 0.78 JAK3 (0.73) JAK3JAK2STK16FYNSRC

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 JAK3 47/4885JAK2 51/4885STK16 221/4885
US-20080207613-A1 Selective Kinase Inhibitors LCK, CHUK, CSK JAK3 47/4885JAK2 51/4885STK16 221/4885

“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.