SCHEMBL22553580

SCHEMBL22553580

Cc1c(Br)c(=O)n([C@H]2CC[C@H]3C[C@H]32)c2nc(N[C@@H]3CCOC[C@H]3O)ncc12

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.81
CCND1 P24385 20/20 0.81
CCND3 P30281 20/20 0.81
CDK6 Q00534 20/20 0.81

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
SCHEMBL22553543 1.00 CDK4 (0.81) CDK4CCND1CCND3CDK6
SCHEMBL22585506 1.00 CDK4 (0.81) CDK4CCND1CCND3CDK6
SCHEMBL22553499 0.89 CDK4 (1.00) CDK4CCND1CCND3CDK6
SCHEMBL22553565 0.89 CDK4 (1.00) CDK4CCND1CCND3CDK6
SCHEMBL22553582 0.89 CDK4 (1.00) CDK4CCND1CCND3CDK6
SCHEMBL22566490 0.89 CDK4 (1.00) CDK4CCND1CCND3CDK6
SCHEMBL22585442 0.88 CDK4 (0.79) CDK4CCND1CCND3CDK6
SCHEMBL22553610 0.88 CDK4 (0.79) CDK4CCND1CCND3CDK6
SCHEMBL22553513 0.87 CDK4 (0.77) CDK4CCND1CCND3CDK6
SCHEMBL22553603 0.86 CDK4 (0.78) CDK4CCND1CCND3CDK6

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 108/4885CCND3 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.