SCHEMBL1642008

SCHEMBL1642008

Nc1c(C(=O)c2ccc(F)cc2Cl)ccnc1-c1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.50
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
RORB Q92753 1/20 0.41
HPGD P15428 1/20 0.39
GRM4 Q14833 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36

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
SCHEMBL1642060 0.93 MAPK14 (0.59) MAPK14KDM4EPOLBMAPK13MAPK12
SCHEMBL1642094 0.91 MAPK14 (0.47) MAPK14KDM4EPOLBRORBHPGD
SCHEMBL1642040 0.86 MAPK14 (0.51) MAPK14KDM4EPOLBRORBHPGD
SCHEMBL1643526 0.85 RORB (0.51) MAPK14KDM4EPOLBRORBALDH1A1
SCHEMBL1644025 0.82 HPGD (0.43) MAPK14KDM4EPOLBHPGDGRM4
SCHEMBL1643090 0.81 RORB (0.47) MAPK14RORBGRM4LMNAMAPK13
SCHEMBL1643725 0.81 MAPK14 (0.57) MAPK14KDM4EMAPK13MAPK12MAPK11
SCHEMBL1642331 0.80 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1644182 0.79 ALDH1A1 (0.49) MAPK14RORBALDH1A1LMNAGAA
SCHEMBL1643812 0.79 MAPK14 (0.48) MAPK14HPGDMAPK13MAPK12MAPK11

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 33/4885KDM4E 2470/4885POLB 1840/4885
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 MAPK14 23/4885KDM4E 4589/4885POLB 430/4885

“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.