SCHEMBL7659079

SCHEMBL7659079

O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(C(=O)N4CCCNCC4)s3)n[nH]c1-2)NN1CCOCC1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.89
CCND1 P24385 20/20 0.89
CDK2 P24941 1/20 0.84

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
SCHEMBL7663898 0.97 CDK4 (0.88) CDK4CCND1CDK2
SCHEMBL7660940 0.94 CDK4 (0.87) CDK4CCND1CDK2
SCHEMBL7663943 0.93 CDK4 (0.88) CDK4CCND1CDK2
SCHEMBL7659689 0.93 CDK4 (0.88) CDK4CCND1CDK2
SCHEMBL7657300 0.93 CDK4 (0.81) CDK4CCND1CDK2
SCHEMBL7663906 0.91 CDK4 (1.00) CDK4CCND1CDK2
SCHEMBL7664808 0.91 CDK4 (0.79) CDK4CCND1CDK2
SCHEMBL7662972 0.89 CDK4 (0.89) CDK4CCND1CDK2
SCHEMBL7654021 0.89 CDK4 (0.89) CDK4CCND1CDK2
SCHEMBL7660948 0.88 CDK4 (0.98) CDK4CCND1CDK2

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 45/4885CDK2 8/4885

“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.