SCHEMBL4070541

SCHEMBL4070541

CC(C)(C)c1cc(N)n(-c2cccc(O[Si](C)(C)C(C)(C)C)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPK14 Q16539 9/20 0.40
MAPK11 Q15759 6/20 0.40
MAPK13 O15264 5/20 0.40
MAPK12 P53778 5/20 0.40
RIPK2 O43353 1/20 0.39
DDR2 Q16832 3/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 1/20 0.37
SRC P12931 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK9 P45984 1/20 0.35
ABL1 P00519 1/20 0.35
ABL2 P42684 1/20 0.35

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
SCHEMBL4072416 0.88 ALDH1A1 (0.37) ALDH1A1MAPK14MAPK11MAPK13MAPK12
SCHEMBL4139267 0.88 MAPK13 (0.38) ALDH1A1MAPK14MAPK11MAPK13MAPK12
SCHEMBL1284129 0.86 LMNA (0.44) MAPK14MAPK11MAPK13MAPK12GRN
SCHEMBL2081538 0.83 MAPK14 (0.54) ALDH1A1MAPK14MAPK11MAPK13MAPK12
SCHEMBL29396795 0.83 MAPK14 (0.54) ALDH1A1MAPK14MAPK11MAPK13MAPK12
SCHEMBL15007058 0.83 ALDH1A1 (0.40) ALDH1A1MAPK14MAPK11MAPK13MAPK12
Hydrochloric Acid SCHEMBL1410273 0.82 MAPK14 (0.53) ALDH1A1MAPK14MAPK11MAPK13MAPK12
SCHEMBL16279956 0.82 MAPK14 (0.35) MAPK14MAPK11MAPK13MAPK12DDR2
SCHEMBL3296922 0.81 MAPK14 (0.46) ALDH1A1MAPK14MAPK11MAPK13MAPK12
SCHEMBL2616995 0.80 MAPK14 (0.41) ALDH1A1MAPK14MAPK11MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
US-9024041-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-05-05 US disclosed
US-9024041-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-05-05 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
US-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 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
US-7511057-B2 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. (US) 2009-03-31 US disclosed
EP-1987022-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES Pfizer Products Inc. (US) 2008-11-05 EP disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 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 (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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 ALDH1A1 2400/4885MAPK14 24/4885MAPK11 38/4885
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PDXK, UMPS, CDK2 ALDH1A1 1197/4885MAPK14 117/4885MAPK11 404/4885
US-20130040962-A1 P38 MAP Kinase Inhibitors MAPK15, MAPK1, MAP3K15 ALDH1A1 1479/4885MAPK14 4/4885MAPK11 34/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 ALDH1A1 2388/4885MAPK14 24/4885MAPK11 38/4885

“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.