SCHEMBL5515010

SCHEMBL5515010

COc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)NNC(=O)c4ccccc4)cccc2-3)cc1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 20/20 0.84
CCNE1 P24864 20/20 0.84
CDK2 P24941 20/20 0.84
CDK4 P11802 17/20 0.77
CCND1 P24385 17/20 0.77

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
SCHEMBL7987273 0.96 CCNE2 (0.78) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7998067 0.95 CCNE2 (0.82) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5514173 0.94 CCNE2 (0.74) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7998057 0.93 CCNE2 (0.73) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5514244 0.93 CCNE2 (0.73) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5515006 0.93 CCNE2 (0.83) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5521972 0.92 CCNE2 (0.72) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL8000149 0.92 CCNE2 (0.72) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7987326 0.92 CCNE2 (0.71) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4024941 0.92 CCNE2 (1.00) CCNE2CCNE1CDK2CDK4CCND1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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

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