SCHEMBL1850492

SCHEMBL1850492

CCOC(=O)C(C)NC(=O)Nc1cc(-c2ccccc2OC)ncn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 18/20 0.53
CCNT1 O60563 14/20 0.53
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL1847995 0.87 CDK9 (0.54) CDK9CCNT1ALDH1A1TP53CYP1A2
SCHEMBL16437080 0.87 CDK9 (0.54) CDK9CCNT1ALDH1A1TP53CYP1A2
SCHEMBL1849518 0.84 CDK9 (0.57) CDK9CCNT1ALDH1A1TP53CYP1A2
SCHEMBL1854381 0.83 CDK9 (0.52) CDK9CCNT1ALDH1A1TP53CYP1A2
SCHEMBL1849044 0.82 CDK9 (0.54) CDK9CCNT1ALDH1A1TP53CYP1A2
SCHEMBL1848114 0.78 CYP1A2 (0.58) CDK9CCNT1ALDH1A1TP53CYP1A2
SCHEMBL16437076 0.78 CDK9 (0.55) CDK9CCNT1ALDH1A1TP53CYP1A2
SCHEMBL16437074 0.78 ADORA3 (0.68) CDK9CCNT1ALDH1A1TP53CYP1A2
SCHEMBL1851193 0.77 CDK9 (0.52) CDK9CCNT1ALDH1A1TP53CYP1A2
SCHEMBL4105944 0.77 CDK9 (0.66) CDK9CCNT1ALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038516-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2015-02-05 US disclosed
US-20150038516-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2015-02-05 US disclosed
US-8716296-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2014-05-06 US disclosed
US-8716296-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2014-05-06 US disclosed
US-8716296-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2014-05-06 US disclosed
EP-2212297-B1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-05-25 EP disclosed
US-20100249149-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100249149-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100249149-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2010-09-30 US disclosed
WO-2009047359-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2009-04-16 WO 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 (2 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-20100249149-A1 Inhibitors of Protein Kinases CDK9, CDK19, CDK2 CDK9 1/4885CCNT1 122/4885ALDH1A1 4732/4885
US-20150038516-A1 Inhibitors of Protein Kinases CDK1, CDK2, CCNK CDK9 22/4885CCNT1 17/4885ALDH1A1 3147/4885

“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.