SCHEMBL22553501

SCHEMBL22553501

Cc1c(Br)c(=O)n([C@@H]2CCC[C@@H]2C)c2nc(Cl)ncc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 17/20 0.42
CDK4 P11802 12/20 0.42
CCND3 P30281 10/20 0.42
CDK6 Q00534 7/20 0.42
CDK2 P24941 11/20 0.41
CCNE1 P24864 9/20 0.41
CCND2 P30279 8/20 0.41
CCNA2 P20248 4/20 0.41
CCNE2 O96020 2/20 0.41
CCNA1 P78396 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
FGFR1 P11362 1/20 0.41
CCNB1 P14635 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
HCAR1 Q9BXC0 1/20 0.36

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
SCHEMBL22553519 0.88 CDK4 (0.52) CCND1CDK4CCND3CDK6CDK2
SCHEMBL22553614 0.86 CDK4 (0.45) CCND1CDK4CCND3CDK6CDK2
SCHEMBL29611418 0.85 CDK4 (0.54) CCND1CDK4CCND3CDK6CDK2
SCHEMBL13202803 0.85 CDK4 (0.54) CCND1CDK4CCND3CDK6CDK2
SCHEMBL22553641 0.81 CCND1 (0.41) CCND1CDK4CCND3CDK6CDK2
SCHEMBL22553631 0.80 CDK4 (0.52) CCND1CDK4CCND3CDK6CDK2
SCHEMBL22553630 0.80 CDK4 (0.52) CCND1CDK4CCND3CDK6CDK2
SCHEMBL17545217 0.77 CDK4 (0.47) CCND1CDK4CCND3CDK6CDK2
Methane SCHEMBL4832996 0.74 CDK4 (0.40) CCND1CDK4CCND3CDK6CDK2
SCHEMBL22553610 0.74 CDK4 (0.79) CCND1CDK4CCND3CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956031-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH Pfizer Inc. (US) 2022-02-23 EP disclosed
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
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 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.