SCHEMBL2078613

SCHEMBL2078613

Cc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)cc(Cl)nc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.53
ATR Q13535 4/20 0.41
ATRIP Q8WXE1 3/20 0.41
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2080513 0.88 MAPK14 (0.53) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL2080033 0.84 MAPK14 (0.68) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL2079070 0.82 MAPK14 (0.48) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL2078103 0.81 MAPK14 (0.53) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL2080774 0.79 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2080180 0.79 ATR (0.56) MAPK14ATRATRIPCYP1A2
SCHEMBL2080378 0.79 MAPK14 (0.51) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL4067939 0.78 MAPK14 (0.60) MAPK14
SCHEMBL2079128 0.77 MAPK14 (0.56) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL2076863 0.76 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11

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 4 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 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 MAPK14 23/4885ATR 906/4885ATRIP 1675/4885

“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.