SCHEMBL4816704

SCHEMBL4816704

O=C1c2ccccc2-c2[nH]nc(-c3ccc(Br)cc3)c21

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.68
CCND1 P24385 17/20 0.68
CDK2 P24941 15/20 0.68
CCNE2 O96020 14/20 0.68
CCNE1 P24864 14/20 0.68
MAOB P27338 1/20 0.46
PTPRC P08575 1/20 0.44

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
SCHEMBL7090159 0.87 CDK4 (0.71) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7146443 0.85 CDK4 (0.68) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7145484 0.85 CDK4 (0.68) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7148608 0.83 CDK4 (0.66) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7091188 0.77 CCNE2 (0.69) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7140772 0.75 CDK4 (0.70) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL12856433 0.74 CDK2 (0.55) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7093050 0.74 CCNE1 (0.55) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL20035506 0.73 ALDH1A1 (0.53) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7147568 0.72 CDK4 (0.67) CDK4CCND1CDK2CCNE2CCNE1

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-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 CDK4 195/4885CCND1 1476/4885CDK2 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.