SCHEMBL4421073

SCHEMBL4421073

Cc1ccc(-n2nc(C(F)(F)F)cc2NC(=O)OCC(Cl)(Cl)Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.43
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
MAPK14 Q16539 3/20 0.40
TNF P01375 1/20 0.40
CDK8 P49336 2/20 0.39
BRAF P15056 5/20 0.38
RAF1 P04049 1/20 0.38
CCNC P24863 1/20 0.38
STIM1 Q13586 2/20 0.37
ORAI1 Q96D31 2/20 0.37
JAK2 O60674 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CRACR2A Q9BSW2 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36

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
SCHEMBL3178328 0.91 CDK8 (0.49) MAPK14TNFCDK8BRAFRAF1
SCHEMBL3174602 0.82 KCNJ6 (0.44) KCNJ6KCNJ5KCNJ3MAPK14TNF
SCHEMBL2025978 0.81 ABL1 (0.51) CARM1KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL3390231 0.80 CDK8 (0.50) MAPK14CDK8CCNCJAK2
SCHEMBL378881 0.79 CDK8 (0.63) MAPK14CDK8CCNCJAK2
SCHEMBL3174282 0.79 CDK8 (0.52) MAPK14CDK8CCNCJAK2
SCHEMBL3174427 0.78 CDK8 (0.53) MAPK14CDK8CCNCJAK2
SCHEMBL3179579 0.77 MAPK13 (0.57) MAPK14BRAFJAK2NTRK1NTRK2
SCHEMBL3181946 0.77 CDK8 (0.52) MAPK14CDK8CCNCJAK2
SCHEMBL16280223 0.76 MAPK14 (0.60) MAPK14CDK8CCNCJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 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-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 CARM1 1267/4885KCNJ6 990/4885KCNJ5 1019/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 CARM1 1267/4885KCNJ6 990/4885KCNJ5 1019/4885

“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.