SCHEMBL2084052

SCHEMBL2084052

CCOC(=O)c1ccc(-n2nc(C(C)C)cc2NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 5/20 0.59
KCNJ5 P48544 5/20 0.59
KCNJ3 P48549 5/20 0.59
P2RY12 Q9H244 1/20 0.58
MAPK14 Q16539 4/20 0.57
MAPK13 O15264 2/20 0.57
MAPK12 P53778 2/20 0.57
MAPK11 Q15759 2/20 0.57
TRPV1 Q8NER1 2/20 0.53
NPC1 O15118 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4050389 0.89 P2RY12 (0.61) KCNJ6KCNJ5KCNJ3P2RY12MAPK14
SCHEMBL16317149 0.88 P2RY12 (0.56) KCNJ6KCNJ5KCNJ3P2RY12MAPK14
SCHEMBL2080486 0.85 MAPK14 (0.58) KCNJ6KCNJ5KCNJ3P2RY12MAPK14
SCHEMBL4055653 0.84 PTPN1 (0.67) KCNJ6KCNJ5KCNJ3P2RY12MAPK14
SCHEMBL2083568 0.83 MAPK14 (0.63) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL4111911 0.79 TRPV1 (0.75) TRPV1NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL4048881 0.79 MAPK14 (0.56) KCNJ6KCNJ5KCNJ3P2RY12MAPK14
SCHEMBL4052022 0.77 MAPK14 (0.64) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL2083858 0.76 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL3188430 0.75 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11MAPT

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-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 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 (4 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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 KCNJ6 4281/4885KCNJ5 4370/4885KCNJ3 4438/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 KCNJ6 2415/4885KCNJ5 2659/4885KCNJ3 2494/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK KCNJ6 4192/4885KCNJ5 4319/4885KCNJ3 4273/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 KCNJ6 3243/4885KCNJ5 3284/4885KCNJ3 3372/4885

“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.