Sugi Predict

Sugi Predict / Compounds / SCHEMBL4023864

SCHEMBL4023864

SCHEMBL4023864

CCN1CCN(c2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 20/20 0.74
▸ CCND1 P24385 20/20 0.74
▸ CCNE2 O96020 13/20 0.74
▸ CCNE1 P24864 13/20 0.74
▸ CDK2 P24941 13/20 0.74
▸ CIT O14578 1/20 0.69
▸ GAK O14976 1/20 0.69
▸ CCNT1 O60563 1/20 0.69
▸ STK16 O75716 1/20 0.69
▸ PRKD3 O94806 1/20 0.69
▸ MAP4K4 O95819 1/20 0.69
▸ CDK1 P06493 1/20 0.69
▸ PDGFRB P09619 1/20 0.69
▸ BCR P11274 1/20 0.69
▸ CCNB1 P14635 1/20 0.69
▸ ERCC2 P18074 1/20 0.69
▸ CSNK2A2 P19784 1/20 0.69
▸ JAK1 P23458 1/20 0.69
▸ CCND3 P30281 1/20 0.69
▸ FLT3 P36888 1/20 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
SCHEMBL7666620 0.97 CDK4 (0.70) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4023859 0.94 CDK4 (0.70) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7651716 0.92 CDK4 (0.73) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4025336 0.92 CDK4 (0.77) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4031513 0.90 CDK4 (0.73) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4024093 0.90 CDK4 (0.75) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7652978 0.89 CDK4 (0.72) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7661878 0.89 CDK4 (0.72) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7663109 0.88 CDK4 (0.64) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7656029 0.88 CDK4 (0.68) CDK4CCND1CCNE2CCNE1CDK2

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 12 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
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 45/4885CCNE2 51/4885
US-20030073686-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CCNA1, CDK17 CDK4 20/4885CCND1 38/4885CCNE2 48/4885
US-20050261353-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CDK17, CDK7 CDK4 17/4885CCND1 42/4885CCNE2 50/4885
US-20040048844-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CCNA1, CDK17 CDK4 20/4885CCND1 38/4885CCNE2 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.