SCHEMBL5097014

SCHEMBL5097014

Cn1cc(-c2ccnc(Nc3cccc(N4CCN(CCO)CC4)c3)n2)c(-c2ccc(N)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 4/20 0.49
▸ CCNE1 P24864 2/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ JAK2 O60674 3/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ CDK1 P06493 2/20 0.47
▸ CCNB1 P14635 2/20 0.47
▸ CDK7 P50613 1/20 0.47
▸ CCNH P51946 1/20 0.47
▸ MNAT1 P51948 1/20 0.47
▸ ACVR1 Q04771 10/20 0.47
▸ EGFR P00533 1/20 0.45
▸ CAMK2D Q13557 1/20 0.43
▸ AIMP2 Q13155 1/20 0.43

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
SCHEMBL5090939 0.90 FLT3 (0.60) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL5103647 0.89 ACVR1 (0.53) JAK2JAK3PTK2ACVR1AIMP2
SCHEMBL5090865 0.89 JAK2 (0.48) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL5097325 0.87 FLT3 (0.55) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL4628222 0.87 JAK2 (0.54) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL4629688 0.86 JAK2 (0.50) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL5103235 0.80 JAK2 (0.58) JAK2JAK3ACVR1AIMP2
SCHEMBL5094765 0.78 CDK2 (0.56) FLT3CCNE1CDK2JAK2JAK3
SCHEMBL5094669 0.78 ACVR1 (0.57) JAK2JAK3PTK2ACVR1AIMP2
SCHEMBL5103237 0.78 JAK2 (0.50) CDK2JAK2JAK3PTK2ACVR1

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 FLT3 152/4885CCNE1 159/4885CDK2 18/4885

“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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