SCHEMBL22553576

SCHEMBL22553576

CSc1ncc2c(C)cc(=O)n(C3CCCC3(C)OC(C)=O)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 18/20 0.37
CDK4 P11802 16/20 0.37
CCND3 P30281 16/20 0.37
CCND2 P30279 14/20 0.37
CDK6 Q00534 4/20 0.35
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
NUAK1 O60285 2/20 0.33
MARK3 P27448 1/20 0.33
MARK2 Q7KZI7 1/20 0.33
MARK4 Q96L34 1/20 0.33
NUAK2 Q9H093 1/20 0.33
MARK1 Q9P0L2 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33

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
SCHEMBL22553575 1.00 CCND1 (0.37) CCND1CDK4CCND3CCND2CDK6
SCHEMBL30839147 0.85 CCNE1 (0.41) CCND1CDK4CCND3CDK6CCNE1
SCHEMBL22553527 0.85 CCNE1 (0.41) CCND1CDK4CCND3CDK6CCNE1
SCHEMBL22553482 0.84 CCND1 (0.50) CCND1CDK4CCND3CCND2CDK6
SCHEMBL22553484 0.84 CCND1 (0.50) CCND1CDK4CCND3CCND2CDK6
SCHEMBL22553590 0.84 CCND1 (0.41) CCND1CDK4CCND3CCND2CDK6
SCHEMBL22553589 0.84 CCND1 (0.41) CCND1CDK4CCND3CCND2CDK6
SCHEMBL22553652 0.82 CCND1 (0.40) CCND1CDK4CCND3CCND2CDK6
SCHEMBL22553453 0.82 CCND1 (0.40) CCND1CDK4CCND3CCND2CDK6
SCHEMBL22553570 0.79 CCND1 (0.44) CCND1CDK4CCND3CCND2CDK6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CCND1 108/4885CDK4 219/4885CCND3 143/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH CCND1 108/4885CDK4 219/4885CCND3 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.