SCHEMBL22997776

SCHEMBL22997776

CSN1CCC(Nc2ncc(C(F)(F)F)c(-c3cn(-c4ccc(CNC(C)C)cc4C#N)cn3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 15/20 0.42
▸ CDK2 P24941 15/20 0.42
▸ CDK7 P50613 10/20 0.42
▸ CCNH P51946 10/20 0.42
▸ MNAT1 P51948 10/20 0.42
▸ CDK1 P06493 10/20 0.42
▸ CDK4 P11802 10/20 0.42
▸ CCNB1 P14635 10/20 0.42
▸ CCND1 P24385 10/20 0.42
▸ CCND3 P30281 10/20 0.42
▸ CDK6 Q00534 10/20 0.42
▸ CCNT1 O60563 9/20 0.42
▸ CDK9 P50750 9/20 0.42
▸ CCNK O75909 4/20 0.38
▸ CDK12 Q9NYV4 4/20 0.38

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
SCHEMBL22977191 0.89 CCNE1 (0.55) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL23001266 0.83 CCNE1 (0.43) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22997856 0.82 CCNE1 (0.44) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22977336 0.82 CCNE1 (0.64) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22997807 0.82 CDK7 (0.51) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22997707 0.82 CCNE1 (0.46) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22997863 0.81 CDK7 (0.42) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22977375 0.81 CCNE1 (0.57) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL29820685 0.81 CCNE1 (0.57) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL23001300 0.80 CCNE1 (0.43) CCNE1CDK2CDK7CCNHMNAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021030537-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION (US) 2021-02-18 — — WO disclosed
US-20160340348-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating MAPLIGHT THERAPEUTICS, INC. 2016-11-24 — — 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-20160340348-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating CHRM3, CHRM4, CHRM5 CCNE1 3264/4885CDK2 2066/4885CDK7 835/4885

“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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