SCHEMBL2650165

SCHEMBL2650165

O=[N+]([O-])c1ccc(F)c(-c2ccncc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.52
GCGR P47871 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HIF1A Q16665 1/20 0.51
CYP19A1 P11511 3/20 0.49
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
NPC1 O15118 4/20 0.48
PKN1 Q16512 1/20 0.48
PKN2 Q16513 1/20 0.48
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE7A Q13946 1/20 0.47
PDE7B Q9NP56 1/20 0.47
MAPT P10636 4/20 0.45
RAB9A P51151 4/20 0.45
POLB P06746 1/20 0.45
PTPRC P08575 1/20 0.44
S100A4 P26447 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL14809788 0.87 CYP19A1 (0.52) MAPK14GCGRALDH1A1HIF1ACYP19A1
SCHEMBL6573092 0.83 PTGS2 (0.55) ALDH1A1HIF1ACYP19A1NPC1MAPT
SCHEMBL2652363 0.83 ALDH1A1 (0.47) MAPK14GCGRALDH1A1HIF1ANPC1
SCHEMBL4910527 0.82 ALDH1A1 (0.67) ALDH1A1HIF1AMAPTPTPRCS100A4
SCHEMBL2651516 0.81 CYP19A1 (0.54) ALDH1A1HIF1ACYP19A1CYP11B1CYP11B2
SCHEMBL2648687 0.81 ALDH1A1 (0.49) MAPK14GCGRALDH1A1HIF1ANPC1
SCHEMBL429611 0.80 ALDH1A1 (0.55) MAPK14GCGRALDH1A1CYP19A1CYP11B1
SCHEMBL9568408 0.80 ALDH1A1 (0.55) ALDH1A1HIF1ANPC1PDE7AMAPT
SCHEMBL1931406 0.80 ALDH1A1 (0.51) ALDH1A1HIF1AMAPTPTPRCS100A4
SCHEMBL2651288 0.80 ALDH1A1 (0.47) MAPK14GCGRALDH1A1HIF1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1294133-C Imidazo-pyrimidine derivatives as ligands for GABA receptors MERCK SHARP & DOHME (GB) 2007-01-10 CN disclosed
EP-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP disclosed
US-6960598-B2 (1,8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. 2005-11-01 US disclosed
US-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 US disclosed
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 US disclosed
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. (GB) 2004-09-02 US disclosed
CN-1498218-A Imidazo-pyrimidine derivatives as GABA receptor ligands Ĭ�ˡ�����-��ķ��˾ 2004-05-19 CN disclosed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
EP-1343788-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-09-17 EP disclosed
WO-2003006464-A1 (1,8) NAPHTHYRIDINES AS GABA LIGANDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES MERCK SHARP & DOHME LIMITED (GB) 2003-01-23 WO disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074772-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO disclosed
WO-2002038568-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-16 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 (3 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 MAPK14 2886/4885GCGR 572/4885ALDH1A1 404/4885
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 MAPK14 2598/4885GCGR 914/4885ALDH1A1 646/4885
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses GABRA1, GABRA4, GABRA6 MAPK14 4058/4885GCGR 700/4885ALDH1A1 365/4885

“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.