SCHEMBL4629050

SCHEMBL4629050

CN1CCN(c2cccc(Nc3nccc(-c4cnn(C)c4-c4ccc(NC(=O)c5ccccc5)cc4)n3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.55
LDLR P01130 1/20 0.55
PCSK9 Q8NBP7 1/20 0.55
JAK2 O60674 7/20 0.54
FLT3 P36888 4/20 0.52
CDK2 P24941 4/20 0.52
KDR P35968 4/20 0.52
SRC P12931 3/20 0.52
LCK P06239 3/20 0.52
PRKD3 O94806 2/20 0.52
SYK P43405 2/20 0.52
AURKB Q96GD4 2/20 0.52
MAP4K5 Q9Y4K4 2/20 0.52
GSK3B P49841 2/20 0.52
PLK4 O00444 1/20 0.52
CHEK1 O14757 1/20 0.52
CSF1R P07333 1/20 0.52
ROS1 P08922 1/20 0.52
FGFR1 P11362 1/20 0.52
FLT1 P17948 1/20 0.52

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
SCHEMBL5097217 0.88 JAK2 (0.54) KITLDLRPCSK9JAK2FLT3
SCHEMBL4629101 0.86 FLT3 (0.55) KITLDLRPCSK9JAK2FLT3
SCHEMBL5103304 0.85 KIT (0.57) KITLDLRPCSK9JAK2FLT3
SCHEMBL4790726 0.81 ABL1 (0.59) JAK2KDRSRCLCKPRKD3
SCHEMBL5090994 0.79 JAK2 (0.51) KITLDLRPCSK9JAK2FLT3
SCHEMBL34463169 0.78 JAK2 (0.65) KITLDLRPCSK9JAK2FLT3
SCHEMBL3253066 0.77 CDK4 (0.65) JAK2CDK2KDRGSK3BCCNE1
SCHEMBL3257732 0.76 CDK4 (0.61) JAK2CDK2KDRGSK3BCCNE1
SCHEMBL5094827 0.75 FLT3 (0.55) KITLDLRPCSK9JAK2FLT3
SCHEMBL4629195 0.75 JAK2 (0.57) KITLDLRPCSK9JAK2FLT3

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 KIT 202/4885LDLR 4417/4885PCSK9 948/4885

“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.