SCHEMBL5103672

SCHEMBL5103672

CN1CCN(c2cccc(Nc3nccc(-c4cn(CCO)nc4-c4ccc([N+](=O)[O-])cc4)n3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.52
▸ FLT3 P36888 4/20 0.52
▸ CCNE1 P24864 2/20 0.52
▸ ACVR1 Q04771 10/20 0.52
▸ CCNA2 P20248 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ CDK1 P06493 1/20 0.50
▸ CCNB1 P14635 1/20 0.50
▸ CDK7 P50613 1/20 0.50
▸ CCNH P51946 1/20 0.50
▸ MNAT1 P51948 1/20 0.50
▸ GSK3B P49841 2/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCND3 P30281 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ KIT P10721 2/20 0.47
▸ LDLR P01130 1/20 0.47
▸ PCSK9 Q8NBP7 1/20 0.47
▸ PLK4 O00444 1/20 0.46

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
SCHEMBL5094765 0.89 CDK2 (0.56) CDK2FLT3CCNE1ACVR1CCNA2
SCHEMBL5097325 0.89 FLT3 (0.55) CDK2FLT3CCNE1ACVR1CDK1
SCHEMBL5090878 0.88 JAK2 (0.54) CDK2ACVR1CCNA2CCNA1GSK3B
SCHEMBL5090865 0.88 JAK2 (0.48) CDK2FLT3CCNE1ACVR1CCNA2
SCHEMBL5103291 0.85 PIK3CA (0.49) CDK2CCNE1ACVR1CCNA2CCNA1
SCHEMBL4629170 0.84 ACVR1 (0.53) CDK2FLT3CCNE1ACVR1CDK1
SCHEMBL5103295 0.84 ACVR1 (0.54) CDK2ACVR1CCNA2CCNA1GSK3B
SCHEMBL5090950 0.81 ABL1 (0.57) ACVR1CDK1CCNB1KDRPLK1
SCHEMBL5094889 0.78 ACVR1 (0.60) CDK2FLT3CCNE1ACVR1JAK2
SCHEMBL5103237 0.78 JAK2 (0.50) CDK2ACVR1CCNA2CCNA1GSK3B

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 CDK2 18/4885FLT3 152/4885CCNE1 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.

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