SCHEMBL22900850

SCHEMBL22900850

Clc1ncc(Cl)c(-c2cnn(C3CCOCC3)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 3/20 0.58
▸ CDK2 P24941 3/20 0.58
▸ CDK1 P06493 2/20 0.58
▸ CCNB1 P14635 2/20 0.58
▸ LRRK2 Q5S007 7/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.43
▸ JAK2 O60674 4/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ FGFR3 P22607 1/20 0.42
▸ MET P08581 4/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL31333791 0.90 CDK1 (0.47) CCNE1CDK2CDK1CCNB1JAK2
SCHEMBL30919647 0.88 CDK1 (0.47) CCNE1CDK2CDK1CCNB1LRRK2
SCHEMBL30919757 0.88 CDK1 (0.47) CCNE1CDK2CDK1CCNB1LRRK2
SCHEMBL30919910 0.86 CDK1 (0.47) CCNE1CDK2CDK1CCNB1LRRK2
SCHEMBL30919561 0.84 CHRNB2 (0.47) JAK2JAK1JAK3IRAK4
SCHEMBL22900922 0.84 CCNE1 (0.59) CCNE1CDK2CDK1CCNB1LRRK2
SCHEMBL30926322 0.83 CDK1 (0.47) CCNE1CDK2CDK1CCNB1FGFR1
SCHEMBL17059335 0.79 KDM5B (0.48) CCNE1CDK2CDK1CCNB1LRRK2
SCHEMBL31677603 0.74 CCNE1 (0.44) CCNE1CDK2CDK1CCNB1LRRK2
SCHEMBL22900873 0.74 CCNE1 (1.00) CCNE1CDK2CDK1CCNB1

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-20210017156-A1 PYRAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION 2021-01-21 — — 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-20210017156-A1 PYRAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK2AP2, CDK4 CCNE1 42/4885CDK2 1/4885CDK1 6/4885

“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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