SCHEMBL7664940

SCHEMBL7664940

CC(C)N1CCN(c2ccc(-c3[nH]nc4c3C(=O)c3c(NC(=O)NN5CCN(C)CC5)cccc3-4)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.63
CCND1 P24385 20/20 0.63
CDK2 P24941 9/20 0.63
CCNE2 O96020 8/20 0.63
CCNE1 P24864 8/20 0.63
CDK1 P06493 2/20 0.62
CCNB1 P14635 2/20 0.62
CCNB2 O95067 1/20 0.62
ABL1 P00519 1/20 0.62
CCNA2 P20248 1/20 0.62
CCNA1 P78396 1/20 0.62
CCNB3 Q8WWL7 1/20 0.62
CIT O14578 1/20 0.49
GAK O14976 1/20 0.49
CCNT1 O60563 1/20 0.49
STK16 O75716 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PDGFRB P09619 1/20 0.49
BCR P11274 1/20 0.49

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
SCHEMBL7664909 0.94 CDK4 (0.69) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7658275 0.94 CDK4 (0.72) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4030240 0.92 CDK4 (0.65) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7651726 0.90 CDK4 (0.64) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7656634 0.90 CDK4 (0.65) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4025333 0.90 CDK4 (0.69) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7664896 0.88 CDK4 (0.80) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087379 0.86 CDK4 (0.71) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4031513 0.86 CDK4 (0.73) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4028909 0.84 CDK4 (0.68) 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 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.