SCHEMBL10087386

SCHEMBL10087386

CC(C)N1CCN(CCOc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2F)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.65
CCND1 P24385 20/20 0.65
CCNE2 O96020 10/20 0.65
CCNE1 P24864 10/20 0.65
CDK2 P24941 10/20 0.65
CIT O14578 1/20 0.65
GAK O14976 1/20 0.65
CCNT1 O60563 1/20 0.65
STK16 O75716 1/20 0.65
PRKD3 O94806 1/20 0.65
MAP4K4 O95819 1/20 0.65
CDK1 P06493 1/20 0.65
PDGFRB P09619 1/20 0.65
BCR P11274 1/20 0.65
CCNB1 P14635 1/20 0.65
ERCC2 P18074 1/20 0.65
CSNK2A2 P19784 1/20 0.65
JAK1 P23458 1/20 0.65
CCND3 P30281 1/20 0.65
FLT3 P36888 1/20 0.65

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
SCHEMBL10087391 0.94 CDK4 (0.69) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL10087380 0.88 CDK4 (0.60) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL10087388 0.88 CDK4 (0.60) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL10087378 0.87 CDK4 (0.65) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL10087358 0.85 CDK4 (0.64) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL10087384 0.82 CDK4 (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4031513 0.82 CDK4 (0.73) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL10087415 0.81 CDK4 (0.72) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL29393788 0.81 CDK4 (0.72) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL10087382 0.81 CDK4 (0.56) 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 14 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
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
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 55/4885CCNE2 65/4885
US-20090209530-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO CDK1, CCNO, CCNI CDK4 14/4885CCND1 55/4885CCNE2 65/4885
US-20080146555-A1 Uses of Kinase Inhibitors and Compositions Thereof CCNK, CDK3, CDK6 CDK4 15/4885CCND1 220/4885CCNE2 337/4885

“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.