SCHEMBL22553519

SCHEMBL22553519

Cc1c(Br)c(=O)n(C2CCC2)c2nc(Cl)ncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.52
CCND1 P24385 17/20 0.52
CCND3 P30281 14/20 0.52
CCND2 P30279 12/20 0.52
CDK2 P24941 6/20 0.52
CCNA2 P20248 5/20 0.52
CCNE1 P24864 4/20 0.52
CCNE2 O96020 3/20 0.52
CCNA1 P78396 3/20 0.52
CDK1 P06493 3/20 0.52
CCNB2 O95067 2/20 0.52
CCNB1 P14635 2/20 0.52
CCNB3 Q8WWL7 2/20 0.52
FGFR1 P11362 1/20 0.52
FGFR2 P21802 1/20 0.52
FGFR4 P22455 1/20 0.52
FGFR3 P22607 1/20 0.52
CDK6 Q00534 3/20 0.41
PIK3CA P42336 3/20 0.41
CCNT1 O60563 1/20 0.40

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
SCHEMBL13202803 0.97 CDK4 (0.54) CDK4CCND1CCND3CCND2CDK2
SCHEMBL29611418 0.97 CDK4 (0.54) CDK4CCND1CCND3CCND2CDK2
SCHEMBL22553630 0.89 CDK4 (0.52) CDK4CCND1CCND3CCND2CDK2
SCHEMBL22553631 0.89 CDK4 (0.52) CDK4CCND1CCND3CCND2CDK2
SCHEMBL17545217 0.88 CDK4 (0.47) CDK4CCND1CCND3CCND2CDK2
SCHEMBL22553501 0.88 CCND1 (0.42) CDK4CCND1CCND3CCND2CDK2
SCHEMBL28403699 0.85 CDK4 (0.56) CDK4CCND1CCND3CCND2CDK2
SCHEMBL22553614 0.84 CDK4 (0.45) CDK4CCND1CCND3CCND2CDK2
SCHEMBL16248282 0.82 CDK4 (0.54) CDK4CCND1CCND3CCND2CDK2
SCHEMBL20448740 0.82 CDK4 (0.54) CDK4CCND1CCND3CCND2CDK2

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
WO-2020212865-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 WO 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 CDK4 219/4885CCND1 108/4885CCND3 143/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH CDK4 219/4885CCND1 108/4885CCND3 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.