SCHEMBL4267729

SCHEMBL4267729

Nc1nc(N)c2c(-c3ccc4[nH]ncc4c3)nn(-c3ccc4[nH]ncc4c3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.53
PIK3CD O00329 4/20 0.53
ABL1 P00519 4/20 0.53
EGFR P00533 4/20 0.53
HCK P08631 4/20 0.53
SRC P12931 4/20 0.53
PIK3CA P42336 4/20 0.53
PIK3CB P42338 4/20 0.53
MTOR P42345 4/20 0.53
PIK3CG P48736 4/20 0.53
EPHB4 P54760 4/20 0.53
PRKDC P78527 4/20 0.53
MAPKAPK2 P49137 3/20 0.46
RIPK2 O43353 2/20 0.41
TGFBR1 P36897 1/20 0.41
ROCK2 O75116 4/20 0.41
GSK3B P49841 3/20 0.41
PIM1 P11309 2/20 0.41
AURKB Q96GD4 2/20 0.41
CLK1 P49759 2/20 0.40

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
SCHEMBL4265699 0.83 PIK3CD (0.52) KDRPIK3CDABL1EGFRHCK
SCHEMBL4267300 0.70 DYRK1A (0.45) PIK3CAMTORTGFBR1DYRK1A
SCHEMBL3027244 0.69 MAPKAPK2 (0.59) KDRMAPKAPK2RIPK2ROCK2GSK3B
SCHEMBL4559483 0.69 KDR (0.53) KDRPIK3CDABL1EGFRHCK
SCHEMBL31467186 0.66 ROCK2 (0.49) KDRMAPKAPK2RIPK2ROCK2GSK3B
SCHEMBL4269315 0.66 SRC (0.52) KDRPIK3CDABL1EGFRHCK
SCHEMBL2068939 0.66 MAPKAPK2 (0.65) MAPKAPK2ROCK2GSK3BPIM1AURKB
SCHEMBL27871388 0.65 GSK3B (0.42) KDRPIK3CDABL1EGFRHCK
SCHEMBL4558196 0.65 KDR (0.47) KDRPIK3CDABL1EGFRHCK
SCHEMBL2026289 0.64 RIPK2 (0.49) KDRPIK3CDABL1EGFRHCK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US claimed
WO-2008039359-A2 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-03 WO claimed
US-8314234-B2 Bicyclic pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-20 US disclosed
US-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
WO-2008039359-A2 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-03 WO 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 (1 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-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS DCK, CDK2, DTYMK KDR 1646/4885PIK3CD 96/4885ABL1 161/4885

“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.