SCHEMBL22566486

SCHEMBL22566486

CSc1ncc2c(C)cc(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.58
CCND1 P24385 6/20 0.58
CCND2 P30279 6/20 0.58
CCND3 P30281 6/20 0.58
PIK3CA P42336 2/20 0.43
MTOR P42345 1/20 0.42
PRKDC P78527 1/20 0.42
TTK P33981 4/20 0.42
TNF P01375 2/20 0.42
LITAF Q99732 2/20 0.42
GPR119 Q8TDV5 1/20 0.40
NR3C1 P04150 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
EZH2 Q15910 1/20 0.39
NUAK1 O60285 1/20 0.39
MARK3 P27448 1/20 0.39
MARK2 Q7KZI7 1/20 0.39
MARK4 Q96L34 1/20 0.39
NUAK2 Q9H093 1/20 0.39

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
SCHEMBL22566636 0.94 CDK4 (0.53) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL7794996 0.83 GPR119 (0.43) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL22553544 0.83 PIK3CA (0.43) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL22566488 0.83 CDK4 (0.46) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL22557860 0.82 TTK (0.45) CDK4CCND1CCND2CCND3TTK
SCHEMBL31664312 0.81 CDK4 (0.54) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL29507738 0.80 CDK4 (0.53) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL2622290 0.80 CDK4 (0.53) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL23633060 0.79 PIK3CA (0.41) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL22566485 0.79 PIK3CA (0.40) CDK4CCND1CCND2CCND3PIK3CA

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-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

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 108/4885CCND2 121/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH CDK4 219/4885CCND1 108/4885CCND2 121/4885

“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.