SCHEMBL2081422

SCHEMBL2081422

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49
HSD17B10 Q99714 1/20 0.49
VNN1 O95497 7/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BRAF P15056 4/20 0.47
CSF1R P07333 4/20 0.47
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SRD5A2 P31213 1/20 0.43

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
SCHEMBL1642054 0.86 NPSR1 (0.46) TSHRNPSR1ALOX15MEN1KMT2A
SCHEMBL2081210 0.86 NPC1 (0.43) TSHRVNN1ALDH1A1SRD5A2
SCHEMBL1643403 0.85 NT5E (0.47) TSHRNPSR1VNN1MEN1KMT2A
SCHEMBL1643182 0.83 KDM4C (0.56) TSHRNPSR1MEN1KMT2A
SCHEMBL5742098 0.81 TACR1 (0.55) RXFP1
SCHEMBL2079912 0.77 VNN1 (0.51) TSHRNPSR1ALOX15CASP1HSD17B10
SCHEMBL2076801 0.76 ALDH1A1 (0.66) TSHRNPSR1ALOX15CASP1HSD17B10
SCHEMBL1643097 0.73 TSHR (0.41) TSHRHSD17B10KMT2AALDH1A1L3MBTL1
SCHEMBL1644026 0.72 TSHR (0.51) TSHRVNN1MEN1KMT2AALDH1A1
SCHEMBL1643694 0.72 HPGD (0.40) TSHRALOX15MEN1KMT2AGAA

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 5 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
CN-101501034-A 1, 7-naphthyridine derivatives as inhibitors of p38 mitogen-activated protein kinase ALMIRALL LAB (ES) 2009-08-05 CN 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 TSHR 4026/4885NPSR1 3360/4885ALOX15 4124/4885

“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.