SCHEMBL22553571

SCHEMBL22553571

C=C(OCC)c1c(C)c2cnc(SC)nc2n(C2CCCC2(C)OC(C)=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 14/20 0.44
CDK6 Q00534 10/20 0.44
CDK2 P24941 7/20 0.44
CCNE1 P24864 3/20 0.44
CDK4 P11802 16/20 0.42
CCND3 P30281 11/20 0.42
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
CDK1 P06493 1/20 0.36
CCND2 P30279 6/20 0.35
CCNA2 P20248 3/20 0.35
CCNA1 P78396 2/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL22553570 1.00 CCND1 (0.44) CCND1CDK6CDK2CCNE1CDK4
SCHEMBL22553482 0.90 CCND1 (0.50) CCND1CDK6CDK2CCNE1CDK4
SCHEMBL22553484 0.90 CCND1 (0.50) CCND1CDK6CDK2CCNE1CDK4
SCHEMBL22553520 0.87 CCND1 (0.48) CCND1CDK6CDK2CCNE1CDK4
SCHEMBL22553590 0.84 CCND1 (0.41) CCND1CDK6CDK2CCNE1CDK4
SCHEMBL22553589 0.84 CCND1 (0.41) CCND1CDK6CDK2CCNE1CDK4
SCHEMBL22553575 0.79 CCND1 (0.37) CCND1CDK6CDK2CCNE1CDK4
SCHEMBL22553576 0.79 CCND1 (0.37) CCND1CDK6CDK2CCNE1CDK4
SCHEMBL22553521 0.78 CCND1 (0.62) CCND1CDK6CDK2CCNE1CDK4
SCHEMBL22553507 0.77 CCND1 (0.49) CCND1CDK6CDK2CCNE1CDK4

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 108/4885CDK6 335/4885CDK2 286/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH CCND1 108/4885CDK6 335/4885CDK2 286/4885

“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.