SCHEMBL22553544

SCHEMBL22553544

CSc1ncc2c(C)c(Br)c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.43
CDK4 P11802 9/20 0.42
CCND1 P24385 9/20 0.42
CCND2 P30279 8/20 0.42
CCND3 P30281 8/20 0.42
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
FGFR1 P11362 1/20 0.40
CCNB1 P14635 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
CCNE1 P24864 1/20 0.40
CCNA1 P78396 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
TNF P01375 1/20 0.39
LITAF Q99732 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
SCHEMBL28677140 0.95 PIK3CA (0.49) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL22566488 0.88 CDK4 (0.46) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL22557912 0.87 CDK4 (0.44) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL22566485 0.84 PIK3CA (0.40) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL23633060 0.83 PIK3CA (0.41) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL22566486 0.83 CDK4 (0.58) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL22566623 0.83 PIK3CA (0.49) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL22553522 0.83 CDK4 (0.41) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL22557914 0.83 CDK4 (0.41) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL4826130 0.81 CDK4 (0.52) PIK3CACDK4CCND1CCND2CCND3

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 4 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
WO-2020212865-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 WO 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 PIK3CA 1541/4885CDK4 219/4885CCND1 108/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH PIK3CA 1541/4885CDK4 219/4885CCND1 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.