SCHEMBL2078868

SCHEMBL2078868

Fc1ccc(-c2cc(N3CCNCC3)nc3c(-c4c(Cl)cccc4Cl)nccc23)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 16/20 0.56
ATRIP Q8WXE1 15/20 0.56
MAPK14 Q16539 4/20 0.49
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
KCNH2 Q12809 1/20 0.43

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
SCHEMBL2079418 0.91 ATR (0.58) ATRATRIPMAPK14
SCHEMBL2077611 0.91 ATR (0.56) ATRATRIPMAPK14
SCHEMBL2080180 0.83 ATR (0.56) ATRATRIPMAPK14
SCHEMBL4255507 0.82 MAPK14 (0.47) ATRATRIPMAPK14MAPK13MAPK12
SCHEMBL2079373 0.81 MAPK14 (0.68) ATRATRIPMAPK14MAPK13MAPK12
SCHEMBL2078628 0.81 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2079175 0.81 ATR (0.46) ATRATRIP
SCHEMBL2078103 0.81 MAPK14 (0.53) ATRATRIPMAPK14MAPK13MAPK12
SCHEMBL2080915 0.79 MAPK14 (0.60) ATRATRIPMAPK14MAPK13MAPK12
SCHEMBL4069855 0.77 MAPK14 (0.62) ATRATRIPMAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906530-B2 1,7-naphthyridine derivatives as p38 MAP kinase inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2011-03-15 US claimed
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-09 US claimed
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
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 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 (1 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-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 ATR 906/4885ATRIP 1675/4885MAPK14 23/4885

“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.