SCHEMBL5090865

SCHEMBL5090865

Cn1cc(-c2ccnc(Nc3cccc(N4CCN(CCO)CC4)c3)n2)c(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ FLT3 P36888 4/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ CCNE1 P24864 2/20 0.46
▸ CCNA2 P20248 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ CCNB1 P14635 2/20 0.45
▸ CDK7 P50613 1/20 0.45
▸ CCNH P51946 1/20 0.45
▸ MNAT1 P51948 1/20 0.45
▸ ACVR1 Q04771 8/20 0.44
▸ PIM1 P11309 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ EGFR P00533 1/20 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
SCHEMBL5094765 0.91 CDK2 (0.56) JAK2JAK3PTK2FLT3CDK2
SCHEMBL5103237 0.90 JAK2 (0.50) JAK2JAK3PTK2CDK2CCNA2
SCHEMBL5097014 0.89 FLT3 (0.49) JAK2JAK3PTK2FLT3CDK2
SCHEMBL5103672 0.88 CDK2 (0.52) JAK2FLT3CDK2CCNE1CCNA2
SCHEMBL4628222 0.85 JAK2 (0.54) JAK2JAK3PTK2FLT3CDK2
SCHEMBL4629688 0.84 JAK2 (0.50) JAK2JAK3PTK2FLT3CDK2
SCHEMBL5097244 0.82 JAK2 (0.56) JAK2JAK3CDK2CCNA2CCNA1
SCHEMBL5097279 0.81 ABL1 (0.60) JAK2JAK3CDK2CCNE1CCNA2
SCHEMBL5090878 0.80 JAK2 (0.54) JAK2JAK3PTK2CDK2CCNA2
SCHEMBL5090939 0.79 FLT3 (0.60) JAK2JAK3PTK2FLT3CDK2

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 JAK2 205/4885JAK3 90/4885PTK2 501/4885

“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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