SCHEMBL4027310

SCHEMBL4027310

COc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)Cc4ccc(NC(=O)CN(C)C)cc4)cccc2-3)cc1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.84
CDK2 P24941 20/20 0.84
CCNE2 O96020 19/20 0.84
CDK4 P11802 15/20 0.84
CCND1 P24385 15/20 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
SCHEMBL4027313 0.94 CCNE1 (0.73) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL4026340 0.92 CCNE2 (1.00) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL4025030 0.91 CCNE1 (0.91) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL4025433 0.90 CCNE1 (0.81) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL4024723 0.90 CCNE1 (0.81) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL4026509 0.90 CCNE1 (0.81) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL4025029 0.87 CCNE1 (0.85) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL4025555 0.87 CCNE1 (0.84) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL4028783 0.87 CCNE1 (1.00) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL7654032 0.85 CCNE1 (0.75) CCNE1CDK2CCNE2CDK4CCND1

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 CCNE1 33/4885CDK2 9/4885CCNE2 48/4885
US-20050261353-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CDK17, CDK7 CCNE1 41/4885CDK2 6/4885CCNE2 50/4885
US-20040048844-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CCNA1, CDK17 CCNE1 33/4885CDK2 9/4885CCNE2 48/4885

“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.