SCHEMBL3777160

SCHEMBL3777160

Cc1ccc(-n2nc(C(C)(C)CO)cc2NC(=O)OCC(Cl)(Cl)Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.57
MAPK13 O15264 7/20 0.57
CDK8 P49336 2/20 0.53
CCNC P24863 1/20 0.49
MAPK12 P53778 4/20 0.48
MAPK11 Q15759 4/20 0.48
DDR2 Q16832 2/20 0.46
PTK2 Q05397 3/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
JAK2 O60674 1/20 0.45

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
SCHEMBL3174490 0.92 CDK8 (0.53) MAPK14MAPK13CDK8CCNCMAPK12
SCHEMBL378881 0.91 CDK8 (0.63) MAPK14MAPK13CDK8CCNCMAPK12
SCHEMBL3181946 0.91 CDK8 (0.52) MAPK14MAPK13CDK8CCNCMAPK12
SCHEMBL3174427 0.88 CDK8 (0.53) MAPK14MAPK13CDK8CCNCMAPK12
SCHEMBL3174282 0.87 CDK8 (0.52) MAPK14MAPK13CDK8CCNCMAPK12
SCHEMBL3390231 0.85 CDK8 (0.50) MAPK14MAPK13CDK8CCNCMAPK12
SCHEMBL15007941 0.84 MAPK14 (0.56) MAPK14MAPK13CDK8CCNCMAPK12
SCHEMBL3190583 0.84 MAPK14 (0.58) MAPK14MAPK13CDK8CCNCMAPK12
SCHEMBL3179284 0.83 CDK8 (0.52) MAPK14MAPK13CDK8CCNCMAPK12
SCHEMBL2361698 0.83 JAK2 (0.66) MAPK14MAPK13MAPK12MAPK11JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527846-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-27 US disclosed
EP-2788349-B1 KINASE INHIBITORS CHIESI FARMA SPA (IT) 2016-10-26 EP disclosed
US-20160229852-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-11 US disclosed
US-9315503-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-04-19 US disclosed
US-20150344475-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-03 US disclosed
US-9145413-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-09-29 US disclosed
US-9139584-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-09-22 US disclosed
US-20150080375-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-03-19 US disclosed
US-8907094-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-09 US disclosed
US-20140323470-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-10-30 US disclosed
EP-2788349-A1 KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2014-10-15 EP disclosed
WO-2013083604-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 WO disclosed
US-20130150343-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 US disclosed
US-8202899-B2 Pyrazole urea derivatives used as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-06-19 US disclosed
US-20100331385-A1 PYRAZOLE UREA DERIVATIVES USED AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-30 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 (6 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-20150344475-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 MAPK14 33/4885MAPK13 20/4885CDK8 321/4885
US-20160229852-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 MAPK14 33/4885MAPK13 20/4885CDK8 321/4885
US-20150080375-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 MAPK14 33/4885MAPK13 20/4885CDK8 321/4885
US-20140323470-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 MAPK14 33/4885MAPK13 20/4885CDK8 321/4885
US-20130150343-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 MAPK14 33/4885MAPK13 20/4885CDK8 321/4885
US-20100331385-A1 PYRAZOLE UREA DERIVATIVES USED AS KINASE INHIBITORS MAP3K1, MAP3K19, MAP3K13 MAPK14 105/4885MAPK13 100/4885CDK8 117/4885

“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.