SCHEMBL5096977

SCHEMBL5096977

Cc1cc(-c2nn(CCO)cc2-c2ccnc(Nc3cccc(CCN4CCOCC4)c3)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.54
▸ BCR P11274 1/20 0.54
▸ ACVR1 Q04771 11/20 0.53
▸ CDK1 P06493 2/20 0.45
▸ CCNB2 O95067 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCNB3 Q8WWL7 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ KDR P35968 1/20 0.41
▸ MAP3K14 Q99558 1/20 0.40
▸ ABL2 P42684 1/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39

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
SCHEMBL5103643 0.92 ABL1 (0.52) ABL1BCRACVR1CDK1CCNB2
SCHEMBL5090950 0.90 ABL1 (0.57) ABL1BCRACVR1CDK1CCNB2
SCHEMBL5094758 0.89 ACVR1 (0.56) ABL1BCRACVR1CDK1CCNB2
SCHEMBL4629353 0.87 ABL1 (0.54) ABL1BCRACVR1CDK1CCNB2
SCHEMBL5094740 0.85 ACVR1 (0.53) ABL1BCRACVR1CDK1CCNB2
SCHEMBL5103305 0.85 ABL1 (0.59) ABL1BCRACVR1CDK1CCNB2
SCHEMBL4763982 0.84 ABL1 (0.51) ABL1BCRACVR1CDK1CCNB2
SCHEMBL5097279 0.83 ABL1 (0.60) ABL1BCRACVR1CDK1CCNB2
SCHEMBL5142460 0.83 ACVR1 (0.54) ABL1BCRACVR1CDK1CCNB2
SCHEMBL5090825 0.82 ABL1 (0.56) ABL1BCRACVR1CDK1CCNB2

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 ABL1 55/4885BCR 1018/4885ACVR1 1609/4885

“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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