SCHEMBL2079913

SCHEMBL2079913

CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccc3c(c2)CNCC3)n1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.63
MAPK13 O15264 6/20 0.63
MAPK12 P53778 6/20 0.63
MAPK11 Q15759 6/20 0.63
DDR2 Q16832 3/20 0.63
MAPK9 P45984 1/20 0.63
SRC P12931 1/20 0.61
MAPT P10636 1/20 0.56
BACE1 P56817 1/20 0.54
PTK2 Q05397 2/20 0.52
ABL1 P00519 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL2617032 0.87 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11DDR2
Hydrochloric Acid SCHEMBL2082177 0.86 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL4226640 0.85 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2082852 0.84 ABL1 (0.69) MAPK14MAPK11ABL1
SCHEMBL2083019 0.84 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2083762 0.84 ABL1 (0.61) MAPK14MAPK13MAPK12MAPK11SRC
SCHEMBL2083431 0.84 MAP3K7 (0.54) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5060551 0.82 KDR (0.53) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2079663 0.81 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL2083192 0.81 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11DDR2

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 48 patents — showing the first 20. 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-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-7737283-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-06-15 US disclosed
US-7737283-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-06-15 US disclosed
US-7737283-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-06-15 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
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-7531566-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2009-05-12 US disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 US disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO disclosed
WO-2006014290-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-02-09 WO disclosed
US-20050288286-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2005-12-29 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 (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-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 MAPK14 29/4885MAPK13 41/4885MAPK12 37/4885
US-20050288286-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF MAPK14 56/4885MAPK13 144/4885MAPK12 77/4885
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 MAPK14 80/4885MAPK13 183/4885MAPK12 118/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK MAPK14 128/4885MAPK13 162/4885MAPK12 160/4885

“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.