SCHEMBL10087442

SCHEMBL10087442

O=C(Nc1cccc2c1C(=O)c1c-2n[nH]c1-c1ccc(OCC(=O)N2CCNCC2)cc1)NN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.66
CCND1 P24385 20/20 0.66
CDK2 P24941 6/20 0.66
CCNE2 O96020 5/20 0.65
CCNE1 P24864 5/20 0.65
CIT O14578 1/20 0.56
GAK O14976 1/20 0.56
CCNT1 O60563 1/20 0.56
STK16 O75716 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
CDK1 P06493 1/20 0.56
PDGFRB P09619 1/20 0.56
BCR P11274 1/20 0.56
CCNB1 P14635 1/20 0.56
ERCC2 P18074 1/20 0.56
CSNK2A2 P19784 1/20 0.56
JAK1 P23458 1/20 0.56
CCND3 P30281 1/20 0.56
FLT3 P36888 1/20 0.56

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
SCHEMBL10087398 0.95 CDK4 (0.69) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087404 0.94 CDK4 (0.67) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087330 0.93 CDK4 (0.66) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087399 0.90 CDK4 (0.64) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL1115749 0.89 CDK4 (0.70) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087329 0.89 CDK4 (0.70) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL12856535 0.88 CDK4 (0.73) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087396 0.87 CDK4 (0.69) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL1179687 0.86 CDK4 (0.69) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL12856544 0.86 CDK4 (0.69) 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 17 patents. 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
EP-2298291-A2 Kinase inhibitors for treating cancers Agennix USA Inc. (US) 2011-03-23 EP disclosed
EP-2298292-A2 Kinase inhibitors for treating cancers Agennix USA Inc. (US) 2011-03-23 EP 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-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-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH INC. 2010-01-07 US disclosed
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH INC. 2010-01-07 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-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-2027853-A2 Kinase inhibitors for treating cancers GPC Biotech Inc. (US) 2009-02-25 EP disclosed
US-20080146555-A1 Uses of Kinase Inhibitors and Compositions Thereof GPC BIOTECH, INC (US) 2008-06-19 US disclosed
US-20080146555-A1 Uses of Kinase Inhibitors and Compositions Thereof GPC BIOTECH, INC (US) 2008-06-19 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-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI CDK4 14/4885CCND1 55/4885CDK2 4/4885
US-20090209530-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO CDK1, CCNO, CCNI CDK4 14/4885CCND1 55/4885CDK2 4/4885
US-20080146555-A1 Uses of Kinase Inhibitors and Compositions Thereof CCNK, CDK3, CDK6 CDK4 15/4885CCND1 220/4885CDK2 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.