SCHEMBL7659778

SCHEMBL7659778

CN1CCN(c2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN(C)C)cccc3-4)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.69
CCND1 P24385 20/20 0.69
CCNE2 O96020 14/20 0.69
CCNE1 P24864 14/20 0.69
CDK2 P24941 14/20 0.69

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
SCHEMBL7662345 0.93 CDK4 (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7651757 0.91 CDK4 (0.69) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6340762 0.89 CDK4 (0.64) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7664896 0.89 CDK4 (0.80) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6350895 0.88 CDK4 (0.66) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6344001 0.88 CDK4 (0.60) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6346621 0.88 CDK4 (0.60) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6352495 0.88 CDK4 (0.60) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL6343074 0.88 CCNE2 (0.60) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4025336 0.86 CDK4 (0.77) CDK4CCND1CCNE2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407103-B2 POTENT ENZYME INHIBITORS OF CYCLIN-DEPENDENT KINASES RELATING TO THE CATALYTIC SUBUNITS CDK1-9 AND THEIR REGULATORY SUBUNITS CYCLINS A-H; ANTIPROLIFERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; VIRICIDES; MODULATORS OF DNA/RNA BIOSYNTHESIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-18 US claimed
US-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses DUPONT PHARMACEUTICALS COMPANY 2001-10-04 US claimed
US-6407103-B2 POTENT ENZYME INHIBITORS OF CYCLIN-DEPENDENT KINASES RELATING TO THE CATALYTIC SUBUNITS CDK1-9 AND THEIR REGULATORY SUBUNITS CYCLINS A-H; ANTIPROLIFERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; VIRICIDES; MODULATORS OF DNA/RNA BIOSYNTHESIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-18 US disclosed
US-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses DUPONT PHARMACEUTICALS COMPANY 2001-10-04 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-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses CDK1, CCNA1, CDK19 CDK4 14/4885CCND1 45/4885CCNE2 51/4885

“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.