SCHEMBL22553551

SCHEMBL22553551

CSc1ncc2c(C)c(C(C)=O)c(=O)n([C@H]3CCN(C(=O)O)C3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.48
CCND1 P24385 18/20 0.48
CCND3 P30281 14/20 0.48
CDK6 Q00534 10/20 0.48
CDK2 P24941 4/20 0.47
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
CDK1 P06493 1/20 0.47
CCNE1 P24864 1/20 0.47
CCND2 P30279 6/20 0.45
FGFR1 P11362 3/20 0.44
CCNA2 P20248 3/20 0.44
FGFR2 P21802 3/20 0.44
FGFR4 P22455 3/20 0.44
FGFR3 P22607 3/20 0.44
NUAK1 O60285 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
CCNA1 P78396 1/20 0.44

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
SCHEMBL22566623 0.87 PIK3CA (0.49) CDK4CCND1CCND3CDK6CDK2
SCHEMBL22557914 0.87 CDK4 (0.41) CDK4CCND1CCND3CDK6CDK2
SCHEMBL22553522 0.87 CDK4 (0.41) CDK4CCND1CCND3CDK6CDK2
SCHEMBL22553600 0.87 CDK4 (0.39) CDK4CCND1CCND3CDK6CDK2
SCHEMBL19021358 0.85 CDK4 (0.60) CDK4CCND1CCND3CDK6CDK2
SCHEMBL22558085 0.84 CCND1 (0.52) CDK4CCND1CCND3CDK6CDK2
SCHEMBL22566488 0.83 CDK4 (0.46) CDK4CCND1CCND3CDK6CDK2
SCHEMBL22553560 0.82 CDK4 (0.58) CDK4CCND1CCND3CDK6CDK2
SCHEMBL22553558 0.82 CDK4 (0.58) CDK4CCND1CCND3CDK6CDK2
SCHEMBL22557860 0.81 TTK (0.45) CDK4CCND1CCND3CDK1CCND2

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 5 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
CN-114007697-A Antiproliferative agents for the treatment of PAH 辉瑞公司 2022-02-01 CN disclosed
US-11203594-B2 Anti-proliferative agents for treating PAH PFIZER INC. (US) 2021-12-21 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 CDK4 219/4885CCND1 108/4885CCND3 143/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH CDK4 219/4885CCND1 108/4885CCND3 143/4885

“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.