SCHEMBL1115723

SCHEMBL1115723

O=C(Nc1cccc2c1C(=O)c1c-2n[nH]c1-c1ccc(O)cc1)NN1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.71
CCND1 P24385 20/20 0.71
CDK2 P24941 3/20 0.70
CCNE2 O96020 2/20 0.70
CCNE1 P24864 2/20 0.70
CIT O14578 1/20 0.61
GAK O14976 1/20 0.61
CCNT1 O60563 1/20 0.61
STK16 O75716 1/20 0.61
PRKD3 O94806 1/20 0.61
MAP4K4 O95819 1/20 0.61
CDK1 P06493 1/20 0.61
PDGFRB P09619 1/20 0.61
BCR P11274 1/20 0.61
CCNB1 P14635 1/20 0.61
ERCC2 P18074 1/20 0.61
CSNK2A2 P19784 1/20 0.61
JAK1 P23458 1/20 0.61
CCND3 P30281 1/20 0.61
FLT3 P36888 1/20 0.61

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
SCHEMBL1115721 0.93 CDK4 (0.81) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4030131 0.90 CDK4 (0.87) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087379 0.89 CDK4 (0.71) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4024091 0.89 CDK4 (0.69) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4025333 0.88 CDK4 (0.69) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL12856535 0.87 CDK4 (0.73) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL1115749 0.87 CDK4 (0.70) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087362 0.87 CDK4 (0.70) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7665083 0.87 CDK4 (0.71) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7659763 0.87 CDK4 (0.66) CDK4CCND1CDK2CCNE2CCNE1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097619-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2012-01-17 US disclosed
US-8097619-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2012-01-17 US disclosed
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
US-7605175-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH AG (DE) 2009-10-20 US disclosed
US-20090209530-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO GPC BIOTECH, INC. (US) 2009-08-20 US disclosed
US-20090209530-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO GPC BIOTECH, INC. (US) 2009-08-20 US disclosed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed
US-7135550-B2 Compositions and methods for isolating ligand binding polypeptides for a user-specified ligand, and for isolating small molecule ligands for a user-specified target polypeptide using an improved class of hybrid ligand compounds GPC BIOTECH INC. (US) 2006-11-14 US disclosed
US-20040266854-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH, INC. (US) 2004-12-30 US disclosed
US-20040266853-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH, INC. (US) 2004-12-30 US disclosed
US-20040043388-A1 Three hybrid assay system GPC BIOTECH AG (DE) 2004-03-04 US disclosed
US-20030165873-A1 For isolating ligand binding polypeptides; fusion proteins; drug screening; kits; surface plasmon resonance GPC BIOTECH AG (DE) 2003-09-04 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 (5 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-20040266853-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI CDK4 14/4885CCND1 55/4885CDK2 4/4885
US-20030165873-A1 For isolating ligand binding polypeptides; fusion proteins; drug screening; kits; surface plasmon resonance MST1R, PLAUR, SPR CDK4 2673/4885CCND1 4719/4885CDK2 2203/4885
US-20040043388-A1 Three hybrid assay system ACKR3, KLK3, TIMCC CDK4 3168/4885CCND1 4756/4885CDK2 3218/4885
US-20090209530-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO CDK1, CCNO, CCNI CDK4 14/4885CCND1 55/4885CDK2 4/4885
US-20040266854-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI CDK4 14/4885CCND1 55/4885CDK2 4/4885

“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.