SCHEMBL2840428

SCHEMBL2840428

c1ccc(Nc2csnn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MAPT P10636 6/20 0.48
MEN1 O00255 5/20 0.48
RAB9A P51151 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALPG P10696 1/20 0.48
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 2/20 0.43
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL15689353 0.75 KMT2A (0.52) KMT2AMAPTMEN1RAB9ATDP1
SCHEMBL5847232 0.74 SMN1; SMN2 (0.57) KMT2AMAPTMEN1RAB9AKDM4E
SCHEMBL11428118 0.71 FABP1 (0.50) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL625879 0.71 ALDH1A1 (0.40) KMT2AMAPTMEN1RAB9ATDP1
SCHEMBL11365138 0.68 MAPT (0.50) KMT2AMAPTMEN1RAB9ATDP1
Diphenylamine SCHEMBL30862126 0.68 HSD17B10 (0.92) KMT2AMAPTMEN1RAB9ATDP1
SCHEMBL30017534 0.67 MEN1 (0.54) KMT2AMAPTMEN1RAB9ATDP1
SCHEMBL11207065 0.67 MAOA (0.50) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL461146 0.67 KMT2A (0.48) KMT2AMAPTMEN1RAB9ATDP1
SCHEMBL2859096 0.66 LMNA (0.73) KMT2AMAPTMEN1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP disclosed
US-8802703-B2 Arylamino N-heteraryl compounds as MEK inhibitors MERCK SERONO S.A. (CH) 2014-08-12 US disclosed
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 US disclosed
US-20100256149-A1 NOVEL ARYLAMINO N-HETERARYL COMPOUNDS AS MEK INHIBITORS MERCK SERONO S.A. (CH) 2010-10-07 US disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
US-7772233-B2 Arylamino N-heteroaryl compounds as MEK inhibitors Merck Serono, S.A. (CH) 2010-08-10 US disclosed
EP-2013180-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS Laboratoires Serono SA (CH) 2009-01-14 EP disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 US disclosed
EP-1888546-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2008-02-20 EP disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 US disclosed
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 US disclosed
WO-2007123939-A2 NOVEL ARYLAMINO N-HETERARYLS AS MEK INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-11-01 WO disclosed
WO-2007123936-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS LABORATOIRES SERONO SA (CH) 2007-11-01 WO disclosed
WO-2006125805-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 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 (4 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-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors NRAS, MAP3K5, MAP3K1 KMT2A 1023/4885MAPT 4481/4885MEN1 2523/4885
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries PDGFRA, PDGFRB, PF4 KMT2A 2024/4885MAPT 1347/4885MEN1 2916/4885
US-20100256149-A1 NOVEL ARYLAMINO N-HETERARYL COMPOUNDS AS MEK INHIBITORS NRAS, MAP3K19, MAP3K20 KMT2A 1038/4885MAPT 4515/4885MEN1 2012/4885
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors NRAS, MAP3K19, MAP3K1 KMT2A 1044/4885MAPT 4512/4885MEN1 2034/4885

“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.