SCHEMBL22997768

SCHEMBL22997768

[O-][S+](C1CC1)N1CCC(Nc2ncc(C(F)(F)F)c(-c3c[nH]cn3)n2)C(F)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 13/20 0.36
▸ CDK2 P24941 13/20 0.36
▸ CCNK O75909 11/20 0.34
▸ CDK12 Q9NYV4 11/20 0.34
▸ CCNT1 O60563 8/20 0.34
▸ CDK9 P50750 8/20 0.34
▸ CDK7 P50613 11/20 0.34
▸ CCNH P51946 11/20 0.34
▸ MNAT1 P51948 11/20 0.34
▸ CDK4 P11802 3/20 0.32
▸ CCND1 P24385 3/20 0.32
▸ CCND3 P30281 3/20 0.32
▸ CDK6 Q00534 3/20 0.32
▸ CDK1 P06493 2/20 0.31
▸ CCNB1 P14635 2/20 0.31

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
SCHEMBL22997719 0.86 CCNE1 (0.47) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL22997739 0.81 CCNE1 (0.41) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL22977512 0.80 CCNE1 (0.39) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL22977083 0.80 CCNE1 (0.54) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL22977353 0.80 CCNE1 (0.46) CCNE1CDK2CCNT1CDK9CDK7
SCHEMBL22977510 0.80 CCNE1 (0.54) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL22977457 0.77 CCNK (0.48) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL22997812 0.77 CCNK (0.48) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL22997627 0.76 CDK4 (0.43) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL22997862 0.76 CCNE1 (0.36) CCNE1CDK2CCNKCDK12CCNT1

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 2066/4885CCNK 2453/4885

“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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