SCHEMBL1643191

SCHEMBL1643191

COc1ccccc1C(O)c1ccncc1NC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
ALOX12 P18054 1/20 0.46
MAPT P10636 2/20 0.45
AHR P35869 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.42
PTGS1 P23219 2/20 0.41
PTGS2 P35354 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LPAR1 Q92633 1/20 0.40
NSD2 O96028 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1642398 0.84 TSHR (0.44) KDM4ESMN1; SMN2PDK1PDK2PDK3
SCHEMBL1642548 0.83 TSHR (0.46) KDM4ELMNASMN1; SMN2TSHRGAA
SCHEMBL1643897 0.78 KMT2A (0.40) KDM4EMAPTTSHRKMT2AALDH1A1
SCHEMBL1643811 0.77 TSHR (0.49) KDM4ELMNAALOX12MAPTAHR
SCHEMBL4118333 0.76 LPAR1 (0.53) KDM4ELMNAALOX12MAPTSMN1; SMN2
SCHEMBL1642078 0.76 NR3C2 (0.38) KDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL1644164 0.75 ALDH1A1 (0.47) KDM4ELMNASMN1; SMN2TSHRGAA
SCHEMBL9209849 0.75 TSHR (0.44) KDM4EALOX12SMN1; SMN2PDK1PDK2
SCHEMBL10533579 0.75 CETP (0.47) KDM4ELMNASMN1; SMN2TSHRGAA
SCHEMBL1643132 0.74 ALDH1A1 (0.48) SMN1; SMN2TSHRPTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2049537-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS Laboratorios Almirall, S.A. (ES) 2009-04-22 EP 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 (2 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-20110098298-A1 New Pyridin-3-Amine Derivatives MAPK1, MAP4K2, MAPK3 KDM4E 2470/4885LMNA 1614/4885ALOX12 4002/4885
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 KDM4E 4589/4885LMNA 1418/4885ALOX12 4189/4885

“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.