SCHEMBL5103291

SCHEMBL5103291

O=[N+]([O-])c1ccc(-c2nn(CCO)cc2-c2ccnc(Nc3cccc(F)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.49
▸ PIK3CB P42338 5/20 0.49
▸ PIK3CG P48736 5/20 0.49
▸ PLK1 P53350 1/20 0.46
▸ ABL1 P00519 3/20 0.46
▸ BCR P11274 3/20 0.46
▸ PRKCA P17252 3/20 0.46
▸ EGFR P00533 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ CDK2 P24941 4/20 0.44
▸ CDK4 P11802 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ SLC2A1 P11166 1/20 0.44
▸ ACVR1 Q04771 3/20 0.44
▸ CDC7 O00311 1/20 0.42
▸ CDK19 Q9BWU1 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ CCNT1 O60563 2/20 0.42
▸ CDK9 P50750 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
SCHEMBL5097233 0.87 ACVR1 (0.46) PIK3CAPIK3CGABL1BCRSRC
SCHEMBL5103672 0.85 CDK2 (0.52) PLK1SRCCDK2CDK4GSK3B
SCHEMBL5103295 0.85 ACVR1 (0.54) PIK3CAPIK3CBPIK3CGPLK1ABL1
SCHEMBL5090878 0.84 JAK2 (0.54) ABL1BCRSRCCDK2CDK4
SCHEMBL5090950 0.83 ABL1 (0.57) PLK1ABL1BCRPRKCAACVR1
SCHEMBL4629334 0.82 ABL1 (0.48) ABL1BCRACVR1
SCHEMBL5096854 0.80 MEN1 (0.42) PIK3CAPIK3CBPIK3CGABL1EGFR
SCHEMBL5090865 0.78 JAK2 (0.48) PLK1EGFRCDK2CDK4GSK3B
SCHEMBL5103237 0.78 JAK2 (0.50) PIK3CAPIK3CBPIK3CGPLK1ABL1
SCHEMBL5097244 0.74 JAK2 (0.56) PIK3CAPIK3CBPIK3CGPLK1ABL1

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 1 patent. 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 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 PIK3CA 48/4885PIK3CB 144/4885PIK3CG 235/4885

“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.

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