SCHEMBL1643897

SCHEMBL1643897

CC(C)(C)C(=O)Nc1cnccc1C(O)c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ABL1 P00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GSK3B P49841 4/20 0.35
MAPT P10636 3/20 0.35
NTRK1 P04629 1/20 0.35
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
GSK3A P49840 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL1642078 0.89 NR3C2 (0.38) HTTTSHRL3MBTL1ABL1ALDH1A1
SCHEMBL1643132 0.83 ALDH1A1 (0.48) TSHRL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL1642398 0.79 TSHR (0.44) KMT2AHTTTSHRALDH1A1KDM4E
SCHEMBL1643191 0.78 KDM4E (0.46) KMT2ATSHRALDH1A1KDM4EMAPT
SCHEMBL1642548 0.77 TSHR (0.46) TSHRL3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL1643097 0.76 TSHR (0.41) KMT2AHSD17B10HTTTSHRCES2
SCHEMBL9209849 0.76 TSHR (0.44) TSHRL3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL2079331 0.75 ALDH1A1 (0.47) TSHRL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL1644164 0.74 ALDH1A1 (0.47) KMT2ATSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL2076801 0.74 ALDH1A1 (0.66) KMT2AHSD17B10TSHRCES2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334294-B2 4,8-diphenyl-polyazanaphthalene derivatives ALMIRALL, S.A. (ES) 2012-12-18 US disclosed
EP-2146988-B1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL SA (ES) 2012-08-15 EP disclosed
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
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-27 US disclosed
EP-2146988-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES Almirall, S.A. (ES) 2010-01-27 EP disclosed
EP-2049537-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS Laboratorios Almirall, S.A. (ES) 2009-04-22 EP disclosed
WO-2008131922-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2008-11-06 WO 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 (3 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-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES MAPK8, MAPK4, MAP3K8 KMT2A 3654/4885HSD17B10 2207/4885HTT 4374/4885
US-20110098298-A1 New Pyridin-3-Amine Derivatives MAPK1, MAP4K2, MAPK3 KMT2A 2699/4885HSD17B10 4582/4885HTT 4653/4885
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 KMT2A 4332/4885HSD17B10 3208/4885HTT 4558/4885

“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.