SCHEMBL22566488

SCHEMBL22566488

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.46
CCND1 P24385 16/20 0.46
CDK6 Q00534 10/20 0.46
CDK2 P24941 3/20 0.46
CCNT1 O60563 2/20 0.46
CDK9 P50750 2/20 0.46
CDK1 P06493 1/20 0.46
CCNE1 P24864 1/20 0.46
CCND3 P30281 13/20 0.45
CCND2 P30279 6/20 0.45
FGFR1 P11362 2/20 0.43
CCNA2 P20248 2/20 0.43
FGFR2 P21802 2/20 0.43
FGFR4 P22455 2/20 0.43
FGFR3 P22607 2/20 0.43
NUAK1 O60285 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
CCNA1 P78396 1/20 0.43
PIK3CA P42336 1/20 0.43

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 0.95 PIK3CA (0.49) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL22553544 0.88 PIK3CA (0.43) CDK4CCND1CDK2CDK1CCNE1
SCHEMBL22566485 0.88 PIK3CA (0.40) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL19021358 0.84 CDK4 (0.60) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL22566624 0.83 PIK3CA (0.46) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL22553551 0.83 CDK4 (0.48) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL28677140 0.83 PIK3CA (0.49) CDK4CCND1CDK2CDK1CCNE1
SCHEMBL22566486 0.83 CDK4 (0.58) CDK4CCND1CDK2CDK1CCND3
SCHEMBL22566529 0.81 PIK3CA (0.49) CDK4CCND1CDK6CDK2CCNT1
SCHEMBL23633060 0.79 PIK3CA (0.41) CDK4CCND1CDK2CCND3CCND2

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 108/4885CDK6 335/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH CDK4 219/4885CCND1 108/4885CDK6 335/4885

“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.