SCHEMBL2082879

SCHEMBL2082879

CC(C)(C)c1cc(N)n(-c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAOB P27338 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
NPC1 O15118 2/20 0.45
PKM P14618 1/20 0.45
MDM2 Q00987 2/20 0.45
RECQL P46063 1/20 0.44
BCL2 P10415 1/20 0.43
MCL1 Q07820 1/20 0.43
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MAPK9 P45984 2/20 0.42
MAPK13 O15264 2/20 0.42

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
SCHEMBL4075120 0.88 RAB9A (0.43) MAPK14RAB9AL3MBTL1SMN1; SMN2MAOB
SCHEMBL3176111 0.83 HCK (0.40) MAPK14RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL20396179 0.83 MEN1 (0.50) RAB9ASMN1; SMN2MAPTNPC1PKM
SCHEMBL1264553 0.81 CYP1A2 (0.61) MAPK14RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL3175380 0.81 LMNA (0.43) MAPK14RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL16317130 0.81 LMNA (0.43) MAPK14RAB9ANPC1PKMRECQL
SCHEMBL1410279 0.80 LMNA (0.46) MAPK14RAB9ASMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL3182299 0.79 CYP1A2 (0.59) MAPK14RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL4073662 0.79 BCHE (0.50) MAPK14RAB9ASMN1; SMN2MAOBNPC1
SCHEMBL273437 0.78 LMNA (0.65) MAPK14RAB9ASMN1; SMN2MAPTNPC1

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 21 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-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 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-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1778686-B9 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2009-07-08 EP disclosed
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP disclosed
US-7511057-B2 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. (US) 2009-03-31 US disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 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
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS 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
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
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 MAPK14 24/4885RAB9A 2552/4885L3MBTL1 4004/4885
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 MAPK14 80/4885RAB9A 3268/4885L3MBTL1 3138/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 MAPK14 29/4885RAB9A 3038/4885L3MBTL1 1627/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK MAPK14 128/4885RAB9A 2127/4885L3MBTL1 2123/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK14 100/4885RAB9A 2892/4885L3MBTL1 1456/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 MAPK14 24/4885RAB9A 2581/4885L3MBTL1 4227/4885

“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.