SCHEMBL19868137

SCHEMBL19868137

CS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)[nH]c3n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 19/20 0.61
▸ CDK2 P24941 19/20 0.61
▸ CCND1 P24385 14/20 0.61
▸ CDK6 Q00534 14/20 0.61
▸ CDK4 P11802 7/20 0.61
▸ CCNT1 O60563 6/20 0.61
▸ CDK9 P50750 6/20 0.61
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ CCNE2 O96020 1/20 0.55
▸ CCND3 P30281 1/20 0.54

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
SCHEMBL19868160 0.90 CDK2 (0.60) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19868272 0.89 CDK2 (0.59) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19868153 0.89 CDK2 (0.61) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19868271 0.88 MAPK8 (0.53) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL17910154 0.85 MAPK8 (0.60) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19868274 0.85 CDK2 (0.54) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19868282 0.85 CDK2 (0.54) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19868310 0.84 CDK2 (0.55) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19868304 0.83 CDK2 (0.65) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19868164 0.83 CDK2 (0.58) CCNE1CDK2CCND1CDK6CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO OPERATING COMPANY LLC 2022-09-01 — — US disclosed
US-11396512-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2022-07-26 — — US disclosed
US-20200392142-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2020-12-17 — — US disclosed
US-10800783-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2020-10-13 — — US disclosed
US-20190135817-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2019-05-09 — — US disclosed
US-10233188-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2019-03-19 — — US disclosed
US-20180044344-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2018-02-15 — — 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 (7 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-20200392142-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 CCNE1 28/4885CDK2 1/4885CCND1 39/4885
US-11396512-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 CCNE1 29/4885CDK2 1/4885CCND1 40/4885
US-10800783-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 CCNE1 29/4885CDK2 1/4885CCND1 40/4885
US-20180044344-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 CCNE1 29/4885CDK2 1/4885CCND1 40/4885
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CCNE1 40/4885CDK2 6/4885CCND1 45/4885
US-20190135817-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 CCNE1 29/4885CDK2 1/4885CCND1 40/4885
US-10233188-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 CCNE1 29/4885CDK2 1/4885CCND1 40/4885

“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.

Send feedback