SCHEMBL1643607

SCHEMBL1643607

Nc1c(C(=O)c2ccc(F)cc2F)ccnc1-c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.49
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
CHRM4 P08173 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
SCHEMBL1641832 0.91 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11CES2
SCHEMBL1644033 0.90 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11CES2
SCHEMBL1642331 0.89 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1642475 0.89 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CHRM4
SCHEMBL1643481 0.87 MAPK14 (0.61) MAPK14
SCHEMBL1643706 0.87 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11CDC7
SCHEMBL1643718 0.87 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11CDC7
SCHEMBL1643601 0.86 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1643725 0.86 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11CES2
SCHEMBL1643424 0.86 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098298-A1 New Pyridin-3-Amine Derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2011-04-28 US claimed
US-20110098298-A1 New Pyridin-3-Amine Derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2011-04-28 US disclosed
US-7906530-B2 1,7-naphthyridine derivatives as p38 MAP kinase inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2011-03-15 US disclosed
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-09 US disclosed
EP-2049537-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS Laboratorios Almirall, S.A. (ES) 2009-04-22 EP disclosed
EP-1987005-A2 NEW PYRIDIN-3-AMINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2008-11-05 EP disclosed
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 WO disclosed
WO-2007096072-A2 NEW PYRIDIN-3-AMINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-30 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 (2 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-20110098298-A1 New Pyridin-3-Amine Derivatives MAPK1, MAP4K2, MAPK3 MAPK14 33/4885MAPK13 35/4885MAPK12 40/4885
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 MAPK14 23/4885MAPK13 38/4885MAPK12 39/4885

“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.