SCHEMBL29763082

SCHEMBL29763082

O=S(=O)(c1ccc(Cl)nc1)N1CCC(Nc2ncc(C(F)(F)F)c(O[C@H]3CCOC3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.43
▸ CCNE1 P24864 9/20 0.43
▸ CDK1 P06493 6/20 0.43
▸ CCNB1 P14635 6/20 0.43
▸ KDR P35968 1/20 0.42
▸ CDK4 P11802 5/20 0.41
▸ CCND1 P24385 5/20 0.41
▸ CCND3 P30281 5/20 0.41
▸ CDK6 Q00534 5/20 0.41
▸ CCNT1 O60563 4/20 0.41
▸ CDK7 P50613 4/20 0.41
▸ CDK9 P50750 4/20 0.41
▸ CCNH P51946 4/20 0.41
▸ MNAT1 P51948 4/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ IKBKB O14920 3/20 0.40
▸ CHUK O15111 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 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
SCHEMBL26919002 1.00 CDK2 (0.43) CDK2CCNE1CDK1CCNB1KDR
SCHEMBL26919004 1.00 CDK2 (0.43) CDK2CCNE1CDK1CCNB1KDR
SCHEMBL26946829 0.90 CDK2 (0.43) CDK2CCNE1CDK1CCNB1KDR
SCHEMBL26942797 0.89 CDK2 (0.44) CDK2CCNE1CDK1CCNB1KDR
SCHEMBL26943737 0.86 CDK2 (0.39) CDK2CCNE1CDK1CCNB1KDR
SCHEMBL26944109 0.86 IKBKB (0.42) CDK2CCNE1CDK1CCNB1KDR
SCHEMBL26943395 0.86 IKBKB (0.41) CDK2CCNE1CDK1CCNB1KDR
SCHEMBL26943895 0.86 CDK2 (0.40) CDK2CCNE1CDK1CCNB1KDR
SCHEMBL26941878 0.85 CDK2 (0.44) CDK2CCNE1CDK1CCNB1KDR
SCHEMBL26943236 0.85 IKBKB (0.47) CDK2CCNE1CDK1CCNB1KDR

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
US-20250009745-A1 CDK INHIBITOR SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2025-01-09 — — US disclosed
WO-2022166793-A1 CDK INHIBITOR 上海齐鲁制药研究中心有限公司 2022-08-11 — — WO 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-20250009745-A1 CDK INHIBITOR CDK9, CDKL1, CDK6 CDK2 11/4885CCNE1 32/4885CDK1 8/4885

“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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