SCHEMBL4026313

SCHEMBL4026313

Cc1cc(-c2n[nH]c3c2C(=O)c2c(NC(=O)NN4CCN(C)CC4)cccc2-3)c(C)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 1.00
CCND1 P24385 19/20 1.00
CDK2 P24941 7/20 0.71
CCNB2 O95067 1/20 0.71
ABL1 P00519 1/20 0.71
CDK1 P06493 1/20 0.71
CCNB1 P14635 1/20 0.71
CCNA2 P20248 1/20 0.71
CCNA1 P78396 1/20 0.71
CCNB3 Q8WWL7 1/20 0.71
CCNE2 O96020 5/20 0.69
CCNE1 P24864 5/20 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
SCHEMBL4026307 0.97 CDK4 (0.93) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL4030481 0.91 CDK4 (1.00) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL7657989 0.87 CDK4 (0.94) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL6754798 0.85 CDK4 (0.87) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL6754801 0.83 CDK4 (1.00) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL4203849 0.82 CDK4 (0.70) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL4025373 0.82 CDK4 (1.00) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4027092 0.82 CCNE2 (1.00) CDK4CCND1CDK2CCNB2CDK1
SCHEMBL7664896 0.81 CDK4 (0.80) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL4196314 0.81 CDK4 (0.73) CDK4CCND1CDK2CCNB2ABL1

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 11 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
EP-1071668-B1 5-AMINOINDENO[1,2-C]PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-06-03 EP disclosed
US-7250435-B2 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-07-31 US disclosed
US-20050261353-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-11-24 US disclosed
US-20040048844-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-11 US disclosed
US-6593356-B2 The present invention relates to the synthesis of a new class of indeno(1,2-c)pyrazol-4-ones of formula (I): that are potent inhibitors of the class of enzymes known as cyclin dependent kinases, which relate to the catalytic subunits cdk1-7 and the BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-15 US disclosed
US-20030073686-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-17 US disclosed
US-6413957-B1 CYCLIN DEPENDANT KINASES INHIBITORS; CONTROLLING CELL GROWTH AND DIFFERENTIATION; CANCER, PSORIASIS, LEUKOCYTE IMMUNO-LOGICAL DISORDERS, RESTINOSIS AND OTHER SMOOTH MUSCLE CELL DISORDERS BRISTOL-MYERS SUIBB PHARMA COMPANY 2002-07-02 US disclosed
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 (4 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
US-20030073686-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CCNA1, CDK17 CDK4 20/4885CCND1 38/4885CDK2 9/4885
US-20050261353-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CDK17, CDK7 CDK4 17/4885CCND1 42/4885CDK2 6/4885
US-20040048844-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CCNA1, CDK17 CDK4 20/4885CCND1 38/4885CDK2 9/4885

“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.