SCHEMBL2080089

SCHEMBL2080089

COc1ccccc1-c1c2nccc(-c3cccc(C(F)(F)F)c3)c2cc[n+]1[O-]

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.63
TOP2A P11388 1/20 0.45
FYN P06241 1/20 0.43
PTPN5 P54829 1/20 0.43
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
RORB Q92753 2/20 0.39
RORC P51449 1/20 0.39
TGFBR1 P36897 1/20 0.38
TP53 P04637 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
SCHEMBL4077557 0.94 MAPK14 (0.72) MAPK14TOP2AFYNPTPN5JAK2
SCHEMBL2079052 0.82 MAPK14 (0.77) MAPK14
SCHEMBL2076918 0.81 MAPK14 (0.63) MAPK14TOP2ATGFBR1
SCHEMBL2079092 0.80 MAPK14 (0.64) MAPK14TOP2A
SCHEMBL2080181 0.78 MAPK14 (0.53) MAPK14PTPN5JAK2JAK3
SCHEMBL4070119 0.78 MAPK14 (0.59) MAPK14
SCHEMBL4070116 0.78 MAPK14 (0.59) MAPK14
SCHEMBL2081038 0.78 MAPK14 (1.00) MAPK14
SCHEMBL27756917 0.75 MAPK14 (0.59) MAPK14
SCHEMBL2081021 0.75 MAPK14 (0.69) MAPK14

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 23/4885TOP2A 378/4885FYN 600/4885

“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.