SCHEMBL2082239

SCHEMBL2082239

CC(C)(C)c1cc(N)n(-c2cccc(CCl)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPK14 Q16539 12/20 0.45
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
EPHB2 P29323 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 1/20 0.42
JAK2 O60674 1/20 0.41
DDR2 Q16832 2/20 0.40
SRC P12931 1/20 0.40
MAPK11 Q15759 4/20 0.40
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
ABL1 P00519 1/20 0.39
ABL2 P42684 1/20 0.39
MAPK8 P45983 1/20 0.39
KLKB1 P03952 1/20 0.38

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
SCHEMBL14403171 0.87 MAPK14 (0.57) ALDH1A1MAPK14RAF1BRAFEPHB2
SCHEMBL2080021 0.86 MAPK14 (0.47) ALDH1A1MAPK14RAF1BRAFEPHB2
Hydrochloric Acid SCHEMBL2082972 0.85 MAPK14 (0.47) ALDH1A1MAPK14RAF1BRAFEPHB2
SCHEMBL3183789 0.85 MAPK14 (0.55) ALDH1A1MAPK14RAF1BRAFEPHB2
SCHEMBL15517229 0.84 POLB (0.46) ALDH1A1MAPK14CYP1A2CYP2C19MAPK1
SCHEMBL2725770 0.84 MAPK14 (0.43) ALDH1A1MAPK14RAF1BRAFEPHB2
SCHEMBL15025634 0.84 MAPK14 (0.47) ALDH1A1MAPK14RAF1BRAFEPHB2
SCHEMBL2083583 0.83 MAPK14 (0.60) MAPK14RAF1BRAFEPHB2JAK2
SCHEMBL1012342 0.81 MAPK14 (0.50) ALDH1A1MAPK14DDR2SRCMAPK11
SCHEMBL29396851 0.81 MAPK14 (0.50) ALDH1A1MAPK14DDR2SRCMAPK11

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 65 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-7666895-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-02-23 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
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
CN-1756849-A Modulation of protein functionality DECIPHERA PHARMACEUTICALS LLC (US) 2006-04-05 CN disclosed
US-20050288286-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2005-12-29 US disclosed
EP-1585827-A2 MODULATION OF PROTEIN FUNCTIONALITIES Deciphera Pharmaceuticals, LLC (US) 2005-10-19 EP disclosed
EP-1585734-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2005-10-19 EP disclosed
US-20040180906-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2004-09-16 US disclosed
US-20040171075-A1 Modulation of protein functionalities DECIPHERA PHARMACEUTICALS, LLC 2004-09-02 US disclosed
WO-2004060306-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2004-07-22 WO disclosed
WO-2004061084-A2 MODULATION OF PROTEIN FUNCTIONALITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2004-07-22 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 (3 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-20050288286-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF ALDH1A1 3257/4885MAPK14 56/4885RAF1 1816/4885
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 ALDH1A1 1756/4885MAPK14 80/4885RAF1 189/4885
US-20040180906-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF ALDH1A1 3257/4885MAPK14 56/4885RAF1 1816/4885

“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.