SCHEMBL2079912

SCHEMBL2079912

Nc1cnccc1C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 6/20 0.51
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
SRD5A2 P31213 1/20 0.50
CES2 O00748 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TLR7 Q9NYK1 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA1 P30542 1/20 0.48
CNR2 P34972 2/20 0.47
PTGS1 P23219 2/20 0.47
KDM4E B2RXH2 1/20 0.46
KDM6B O15054 1/20 0.46

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
SCHEMBL2080891 0.83 KDM4E (0.51) VNN1SRD5A2CES2TLR7MEN1
SCHEMBL1642906 0.82 KMT2A (0.50) CES2MEN1KMT2AALDH1A1MAPT
SCHEMBL5347968 0.81 PTGS1 (0.59) HSD17B10SRD5A2CES2TLR7MEN1
SCHEMBL1643775 0.79 POLB (0.51) VNN1NPSR1MEN1KMT2AALDH1A1
SCHEMBL9002252 0.79 TSHR (0.64) VNN1TSHRHSD17B10SRD5A2CES2
SCHEMBL1643213 0.78 ALDH1A1 (0.65) HSD17B10MEN1KMT2AALDH1A1MAPT
SCHEMBL2081422 0.77 TSHR (0.49) VNN1TSHRHSD17B10SRD5A2ALOX15
SCHEMBL2079423 0.76 CNR2 (0.51) VNN1TSHRHSD17B10SRD5A2CES2
Hydrochloric Acid SCHEMBL16703122 0.76 ALDH1A1 (0.62) HSD17B10MEN1KMT2AALDH1A1MAPT
SCHEMBL1237189 0.75 SRD5A2 (0.79) VNN1HSD17B10SRD5A2CES2NPSR1

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 VNN1 3414/4885TSHR 4026/4885HSD17B10 3208/4885

“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.