SCHEMBL4027063

SCHEMBL4027063

CN1CCN(C(=O)Nc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)s2)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.72
CCND1 P24385 20/20 0.72
CDK2 P24941 4/20 0.61
CCNE2 O96020 2/20 0.61
CCNE1 P24864 2/20 0.61
CCNB2 O95067 1/20 0.57
ABL1 P00519 1/20 0.57
CDK1 P06493 1/20 0.57
CCNB1 P14635 1/20 0.57
CCNA2 P20248 1/20 0.57
CCNA1 P78396 1/20 0.57
CCNB3 Q8WWL7 1/20 0.57

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
SCHEMBL7654021 0.90 CDK4 (0.89) CDK4CCND1CDK2
SCHEMBL4023398 0.87 CDK4 (0.69) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7662972 0.87 CDK4 (0.89) CDK4CCND1CDK2
SCHEMBL4029353 0.86 CDK4 (0.87) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4027481 0.85 CDK4 (0.65) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4034106 0.85 CDK4 (0.67) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4027490 0.84 CDK4 (0.66) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7657300 0.84 CDK4 (0.81) CDK4CCND1CDK2
SCHEMBL4028341 0.84 CDK4 (0.64) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7654031 0.84 CDK4 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-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.