SCHEMBL1758837

SCHEMBL1758837

N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3cc(Br)ccc3c2[nH]1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.81
TBXAS1 P24557 2/20 0.81
JAK2 O60674 1/20 0.81

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
SCHEMBL1758301 1.00 PTGES (0.81) PTGESTBXAS1JAK2
SCHEMBL1758241 0.93 PTGES (0.70) PTGESTBXAS1JAK2
SCHEMBL1758220 0.90 PTGES (1.00) PTGESTBXAS1JAK2
SCHEMBL29424238 0.90 PTGES (1.00) PTGESTBXAS1JAK2
SCHEMBL14391246 0.87 PTGES (0.81) PTGESTBXAS1JAK2
SCHEMBL14048023 0.87 PTGES (0.61) PTGESTBXAS1JAK2
SCHEMBL12329756 0.87 PTGES (0.81) PTGESTBXAS1JAK2
SCHEMBL1758039 0.85 PTGES (0.65) PTGESTBXAS1JAK2
SCHEMBL14420569 0.84 PTGES (0.58) PTGESTBXAS1JAK2
SCHEMBL14536539 0.84 PTGES (0.77) PTGESTBXAS1JAK2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954683-B1 2-(PHENYL OR HETEROCYCLYL)-1H-PHENANTHRO(9,10-D)IMIDAZOLES AS MPGES-1 INHIBITORS MERCK CANADA INC (CA) 2016-03-02 EP disclosed
EP-1954683-B1 2-(PHENYL OR HETEROCYCLYL)-1H-PHENANTHRO(9,10-D)IMIDAZOLES AS MPGES-1 INHIBITORS MERCK CANADA INC (CA) 2016-03-02 EP disclosed
EP-1828143-B1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD (CA) 2013-03-20 EP disclosed
EP-1954134-B1 PROCESS FOR SYNTHESIZING A 2-PHENYL-1H-PHENANTRHO[9,10-D]IMIDAZOLE DERIVATIVE MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
CN-101119973-B 2-(phenyl or heterocyclic)-1h-phenantrho[9,10-d]imidazoles as mpges-1 inhibitors MERCK FROSST CANADA LTD 2011-08-03 CN disclosed
CN-101370787-B 2- (phenyl or heterocyclyl) -1H-phenanthro [9,10-d ] imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD 2011-05-25 CN disclosed
US-7943649-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2011-05-17 US disclosed
US-7943649-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2011-05-17 US disclosed
US-20090203922-A1 Process for Synthesizing 2-Phenyl-1H-Phenanthro[9,10-d]Imidazole Derivative MERCK SHARP & DOHME CORP. 2009-08-13 US disclosed
US-20090192158-A1 Methods for Treating or Preventing Neoplasias MERCK FROSST CANADA LTD. (CA) 2009-07-30 US disclosed
CN-101119973-A 2-(phenyl or heterocyclic)-1h-phenantrho[9,10-d]imidazoles as mpges-1 inhibitors MERCK FROSST CANADA LTD (CA) 2008-02-06 CN disclosed
WO-2007124589-A1 METHODS FOR TREATING OR PREVENTING NEOPLASIAS MERCK FROSST CANADA LTD. (CA) 2007-11-08 WO disclosed
WO-2007124589-A1 METHODS FOR TREATING OR PREVENTING NEOPLASIAS MERCK FROSST CANADA LTD. (CA) 2007-11-08 WO disclosed
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2007-09-06 US disclosed
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2007-09-06 US disclosed
WO-2007061853-A2 PROCESS FOR SYNTHESIZING 2-PHENYL-1H-PHENANTRHO[9,10-D]IMIDAZOLE DERIVATIVE MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007059610-A1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-05-31 WO disclosed
WO-2007059611-A1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-05-31 WO disclosed
WO-2007061849-A2 METHOD OF GENERATING AMORPHOUS SOLID FOR WATER-INSOLUBLE PHARMACEUTICALS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061849-A2 METHOD OF GENERATING AMORPHOUS SOLID FOR WATER-INSOLUBLE PHARMACEUTICALS MERCK & CO., INC. (US) 2007-05-31 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-20090192158-A1 Methods for Treating or Preventing Neoplasias GSTO1, PTGS1, PTGES PTGES 3/4885TBXAS1 368/4885JAK2 4092/4885
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 PTGES 2/4885TBXAS1 154/4885JAK2 1417/4885
US-20090203922-A1 Process for Synthesizing 2-Phenyl-1H-Phenanthro[9,10-d]Imidazole Derivative PTGES, PTGS1, PTGES2 PTGES 1/4885TBXAS1 189/4885JAK2 2419/4885

“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.