SCHEMBL19863700

SCHEMBL19863700

C[C@@]1(O)CCC[C@H]1n1c(=O)c(Cl)cc2cnc(N[C@@H]3CCN(S(C)(=O)=O)C[C@@H]3F)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 20/20 1.00
CCNE1 P24864 20/20 1.00
CDK2 P24941 20/20 1.00
CDK6 Q00534 20/20 1.00
CDK4 P11802 4/20 0.78
CCND3 P30281 3/20 0.78
CCNT1 O60563 3/20 0.78
CDK9 P50750 3/20 0.78
CCNE2 O96020 1/20 0.63
RB1 P06400 1/20 0.63
CDK1 P06493 1/20 0.63
CCNA2 P20248 1/20 0.63

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
SCHEMBL19857336 1.00 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL31153369 0.88 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19857329 0.88 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19863682 0.88 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19863670 0.88 CCNE1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19863667 0.88 CCNE1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19863669 0.88 CCNE1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19863666 0.88 CCNE1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL30839118 0.86 CCNE1 (0.77) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL22787395 0.83 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 8 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-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
WO-2018033815-A1 PYRIDOPYRIMDINONE CDK2/4/6 INHIBITORS PFIZER INC. (US) 2018-02-22 WO disclosed
US-20180044344-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2018-02-15 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 (6 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 CCND1 39/4885CCNE1 28/4885CDK2 1/4885
US-11396512-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 CCND1 40/4885CCNE1 29/4885CDK2 1/4885
US-10800783-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 CCND1 40/4885CCNE1 29/4885CDK2 1/4885
US-20180044344-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 CCND1 40/4885CCNE1 29/4885CDK2 1/4885
US-20190135817-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 CCND1 40/4885CCNE1 29/4885CDK2 1/4885
US-10233188-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 CCND1 40/4885CCNE1 29/4885CDK2 1/4885

“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.