SCHEMBL2079128

SCHEMBL2079128

Cc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)cc(NC3CCNCC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.56
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
ATR Q13535 2/20 0.39
ATRIP Q8WXE1 2/20 0.39
TDO2 P48775 1/20 0.38
BRD4 O60885 3/20 0.37
ATAD2 Q6PL18 3/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK1 P28482 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PIM1 P11309 1/20 0.35
SYK P43405 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
SCHEMBL2079157 0.89 MAPK14 (0.56) MAPK14CYP1A2CYP2C19MEN1CYP2D6
SCHEMBL2080167 0.86 MAPK14 (0.68) MAPK14CYP1A2CYP2C19ATRATRIP
SCHEMBL2080378 0.84 MAPK14 (0.51) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL4255507 0.84 MAPK14 (0.47) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL2080915 0.84 MAPK14 (0.60) MAPK14CYP1A2CYP2C19ATRATRIP
SCHEMBL2079464 0.83 MAPK14 (0.77) MAPK14CYP1A2HSD17B10MAPK13MAPK12
SCHEMBL4069855 0.82 MAPK14 (0.62) MAPK14ATRATRIPTDO2MAPK13
SCHEMBL2080030 0.81 SYK (0.46) PIM1SYK
Sulfuric Acid SCHEMBL4067935 0.80 MAPK14 (0.47) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL4068702 0.80 MAPK14 (0.70) 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 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 MAPK14 23/4885CYP1A2 1495/4885CYP2C19 2672/4885

“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.