SCHEMBL1822947

SCHEMBL1822947

Nc1ccccc1-c1c[nH]nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
IDO1 P14902 4/20 0.47
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 4/20 0.44
GAA P10253 4/20 0.44
HSD17B10 Q99714 3/20 0.44
ADORA3 P0DMS8 3/20 0.39
DCUN1D1 Q96GG9 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GLA P06280 1/20 0.37
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36

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
SCHEMBL2197897 0.85 ALDH1A1 (0.38) ALDH1A1L3MBTL1IDO1KDM4ENPC1
SCHEMBL6165261 0.83 ALDH1A1 (0.37) ALDH1A1L3MBTL1IDO1KDM4ENPC1
SCHEMBL29637140 0.77 MMP2 (0.34) ALDH1A1L3MBTL1IDO1
SCHEMBL20849 0.76 GAA (0.47) ALDH1A1IDO1KDM4ENPC1GAA
SCHEMBL5612902 0.76 AKT1 (0.41) ALDH1A1NPC1HSD17B10DCUN1D1SMN1; SMN2
SCHEMBL5612891 0.76 PBRM1 (0.47) ALDH1A1IDO1KDM4ENPC1GAA
SCHEMBL6252050 0.76 IDO1 (0.39) ALDH1A1L3MBTL1IDO1KDM4ENPC1
SCHEMBL11246560 0.76 GAA (0.47) ALDH1A1IDO1KDM4ENPC1GAA
SCHEMBL8781512 0.76 F2 (0.33) ALDH1A1L3MBTL1MEN1KMT2AKCNN4
SCHEMBL207829 0.76 IDO1 (0.47) ALDH1A1IDO1KDM4EHSD17B10DCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021016670-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2021-02-04 WO disclosed
EP-1981876-B1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LTD (GB) 2011-05-04 EP disclosed
US-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-1981876-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2008-10-22 EP disclosed
WO-2007080401-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2007-07-19 WO disclosed
US-6451820-B1 Substituted 1-(4-aminophenly)triazoles and their use as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-17 US disclosed
WO-2001072740-A1 SUBSTITUTED 1-(4-AMINOPHENYL) TRIAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-10-04 WO disclosed
CN-1053660-C Process for preparing indole derivatives containing 1,2,4-triazol-1-yl substituents MERCK SHARP & DOHME (GB) 2000-06-21 CN disclosed
CN-1037843-C Process for preparing indole derivatives containing 1,2, 4-triazol-1-yl substituents MERCK SHARP & DOHME (GB) 1998-03-25 CN disclosed
US-5717104-A Process for preparing indole derivatives containing a 1,2,4-triazol-1-yl substituent MERCK, SHARP & DOHME, LTD. (GB) 1998-02-10 US disclosed
CN-1166486-A Process for preparing indole derivatives containing 1,2,4-triazol-1-yl substituents MERCK SHARP & DOHME (GB) 1997-12-03 CN disclosed
EP-0651748-B1 PROCESS FOR PREPARING INDOLE DERIVATIVES CONTAINING A 1,2,4-TRIAZOL-1-YL SUBSTITUENT MERCK SHARP & DOHME (GB) 1997-10-08 EP disclosed
US-5567819-A Process for preparing indole derivatives containing a 1,2,4-triazol-1-yl substituent MERCK, SHARP & DOHME, LTD. (GB) 1996-10-22 US disclosed
EP-0651748-A1 PROCESS FOR PREPARING INDOLE DERIVATIVES CONTAINING A 1,2,4-TRIAZOL-1-YL SUBSTITUENT. MERCK SHARP & DOHME (GB) 1995-05-10 EP disclosed
WO-1994002476-A1 PROCESS FOR PREPARING INDOLE DERIVATIVES CONTAINING A 1,2,4-TRIAZOL-1-YL SUBSTITUENT MERCK SHARP & DOHME LIMITED (GB) 1994-02-03 WO disclosed
EP-0040357-B1 PROCESS FOR THE PREPARATION OF V-TRIAZOLYL-(2) PHENOLS BAYER AG (DE) 1984-09-19 EP disclosed
EP-0040357-A1 Process for the preparation of v-triazolyl-(2) phenols BAYER AG (DE) 1981-11-25 EP 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-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS SLC28A1, TPMT, ACE ALDH1A1 443/4885L3MBTL1 4037/4885IDO1 1781/4885

“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.