SCHEMBL22553527

SCHEMBL22553527

CSc1ncc2c(C)cc(=O)n([C@H]3CCC[C@]3(C)O)c2n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.41
CDK2 P24941 19/20 0.41
CCND1 P24385 18/20 0.41
CDK6 Q00534 18/20 0.41
CDK4 P11802 3/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
CCND3 P30281 2/20 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
SCHEMBL30839147 1.00 CCNE1 (0.41) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL22553652 0.88 CCND1 (0.40) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL22553453 0.88 CCND1 (0.40) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL22553576 0.85 CCND1 (0.37) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL22553575 0.85 CCND1 (0.37) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30839200 0.85 CCNE1 (0.43) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30839124 0.82 CCNE1 (0.46) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL25907827 0.82 CCNE1 (0.58) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL25907793 0.82 CCNE1 (0.58) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL24571933 0.81 CCNE1 (0.57) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956031-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH Pfizer Inc. (US) 2022-02-23 EP disclosed
US-11203594-B2 Anti-proliferative agents for treating PAH PFIZER INC. (US) 2021-12-21 US disclosed
US-11203594-B2 Anti-proliferative agents for treating PAH PFIZER INC. (US) 2021-12-21 US disclosed
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 US disclosed
WO-2020212865-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 WO disclosed
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 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-11203594-B2 Anti-proliferative agents for treating PAH EDNRB, EDNRA, PAH CCNE1 90/4885CDK2 286/4885CCND1 108/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH CCNE1 90/4885CDK2 286/4885CCND1 108/4885

“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.