SCHEMBL31276705

SCHEMBL31276705

Cn1ccc2cc(Cl)cc(Br)c21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.35
CCND1 P24385 6/20 0.35
CCNE2 O96020 5/20 0.34
CCNE1 P24864 5/20 0.34
CDK2 P24941 5/20 0.34
PRKCI P41743 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CYP2A6 P11509 2/20 0.30
PIK3CB P42338 1/20 0.30

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
SCHEMBL6030519 0.80 KDM4E (0.38) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL16983161 0.78 CDK4 (0.38) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6030299 0.78 PRKCI (0.33) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL24375839 0.77 PRKCI (0.40) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL15712762 0.77 PRKCI (0.48) PRKCICYP2A6PIK3CB
SCHEMBL29234948 0.77 ESR1 (0.34) CDK4CCND1PRKCIPRKACAPRKACG
SCHEMBL6029602 0.76 MTNR1A (0.36) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL29256160 0.74 CDK4 (0.41) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL17661900 0.74 GABRA1 (0.42) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL14745740 0.73 NR3C1 (0.30) PRKCI

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
EP-4712969-A1 CYCLIN INHIBITORS Circle Pharma, Inc. (US) 2026-03-25 EP disclosed
US-20240408169-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-12-12 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 (1 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-20240408169-A1 CYCLIN INHIBITORS CCNI, CDK2, CDK1 CDK4 7/4885CCND1 36/4885CCNE2 40/4885

“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.