SCHEMBL4629101

SCHEMBL4629101

CN1CCN(c2cccc(Nc3nccc(-c4c[nH]nc4-c4ccc(NC(=O)c5ccccc5)cc4)n3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.55
CDK2 P24941 4/20 0.55
CCNE1 P24864 3/20 0.55
CDK1 P06493 3/20 0.55
CCNB1 P14635 3/20 0.55
CDK7 P50613 2/20 0.55
CCNH P51946 2/20 0.55
MNAT1 P51948 2/20 0.55
KIT P10721 3/20 0.55
LDLR P01130 2/20 0.55
PCSK9 Q8NBP7 2/20 0.55
JAK2 O60674 6/20 0.54
SRC P12931 3/20 0.50
LCK P06239 2/20 0.50
KDR P35968 2/20 0.50
AURKB Q96GD4 2/20 0.50
MAP4K5 Q9Y4K4 2/20 0.50
SYK P43405 2/20 0.50
PRKD3 O94806 2/20 0.50
PLK4 O00444 1/20 0.50

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
SCHEMBL5094827 0.89 FLT3 (0.55) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL4629195 0.89 JAK2 (0.57) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL5103304 0.88 KIT (0.57) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL4629050 0.86 KIT (0.55) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL3252685 0.86 FLT3 (0.62) FLT3CDK2CCNE1CDK1CCNB1
SCHEMBL4629197 0.83 JAK2 (0.59) JAK2SRCPRKD3GSK3BIGF1R
SCHEMBL4629866 0.80 ABL1 (0.58) CDK1CCNB1JAK2SRCKDR
SCHEMBL5094851 0.80 JAK2 (0.56) CDK1JAK2SRCKDRAURKB
SCHEMBL4628220 0.80 JAK2 (0.60) CDK7CCNHJAK2SRCPRKD3
SCHEMBL3247473 0.79 AIMP2 (0.51) CDK2CCNE1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases SMITHKLINE BEECHAM CORPORATION 2008-10-02 US claimed
EP-1917258-A2 PYRIMIDINYL-PYRAZOLE INHIBITORS OF AURORA KINASES SmithKline Beecham Corporation (US) 2008-05-07 EP claimed
WO-2007024843-A2 PYRIMIDINYL-PYRAZOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-01 WO claimed
US-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases SMITHKLINE BEECHAM CORPORATION 2008-10-02 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 (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-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases AURKA, AURKC, PLK1 FLT3 152/4885CDK2 18/4885CCNE1 159/4885

“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.