SCHEMBL24373406

SCHEMBL24373406

C[C@@]1(O)CCCC[C@H]1n1c(=O)c(C(F)F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21

nearest known ligand 0.95

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 20/20 0.95
CCNE1 P24864 20/20 0.95
CDK2 P24941 20/20 0.95
CDK6 Q00534 20/20 0.95
CDK4 P11802 7/20 0.95
CCND3 P30281 6/20 0.95
CCNT1 O60563 4/20 0.95
CDK9 P50750 4/20 0.95
CCNE2 O96020 1/20 0.95
RB1 P06400 1/20 0.95
CDK1 P06493 1/20 0.95
CCNA2 P20248 1/20 0.95

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
Ebvaciclib SCHEMBL19863683 0.98 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
Ebvaciclib SCHEMBL29359734 0.98 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
Ebvaciclib SCHEMBL19880088 0.98 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
Ebvaciclib SCHEMBL30550182 0.98 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
Ebvaciclib SCHEMBL19857421 0.98 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
Ebvaciclib SCHEMBL30550073 0.92 CCND1 (0.89) CCND1CCNE1CDK2CDK6CDK4
Ebvaciclib SCHEMBL30550079 0.92 CCND1 (0.89) CCND1CCNE1CDK2CDK6CDK4
Ebvaciclib SCHEMBL30550154 0.92 CCND1 (0.89) CCND1CCNE1CDK2CDK6CDK4
Ebvaciclib SCHEMBL30550180 0.91 CCND1 (0.88) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19863694 0.91 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4

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-11396512-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2022-07-26 US disclosed
US-20220127262-A1 CRYSTALLINE FORM OF A CDK INHIBITOR PFIZER INC. (US) 2022-04-28 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 (2 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-11396512-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 CCND1 40/4885CCNE1 29/4885CDK2 1/4885
US-20220127262-A1 CRYSTALLINE FORM OF A CDK INHIBITOR CDK6, CDK7, CDK2 CCND1 39/4885CCNE1 43/4885CDK2 3/4885

“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.