SCHEMBL71308

SCHEMBL71308

O=C(O)c1ccc(Nc2ccccc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 14/20 1.00
GRM5 P41594 1/20 0.62
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
AURKA O14965 1/20 0.55
AURKB Q96GD4 1/20 0.55
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
LDHA P00338 1/20 0.51
HCAR2 Q8TDS4 2/20 0.51

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
SCHEMBL11564878 0.91 HCAR3 (0.83) HCAR3GRM5NPC1RAB9AAURKA
SCHEMBL14341697 0.87 HCAR3 (0.76) HCAR3HCAR2
SCHEMBL26436204 0.86 HCAR3 (0.76) HCAR3GRM5AURKAHCAR2
SCHEMBL14607583 0.86 HCAR3 (0.76) HCAR3GRM5AURKAAURKBMAPT
SCHEMBL9076442 0.85 HCAR3 (0.73) HCAR3GRM5NPC1RAB9AMAPT
SCHEMBL11564806 0.85 HCAR3 (0.73) HCAR3GRM5NPC1RAB9AAURKA
SCHEMBL11565571 0.85 HCAR3 (0.73) HCAR3GRM5NPC1MAPTMEN1
SCHEMBL11561979 0.85 HCAR3 (0.73) HCAR3GRM5NPC1RAB9AMEN1
SCHEMBL11567699 0.85 HCAR3 (0.73) HCAR3GRM5NPC1RAB9AAURKA
SCHEMBL11563504 0.85 HCAR3 (0.73) HCAR3GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-11-02 US disclosed
US-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-11-02 US disclosed
US-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-11-21 US disclosed
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-20110281871-A1 TAAR1 LIGANDS GALLEY GUIDO (DE) 2011-11-17 US disclosed
US-8008305-B2 TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
WO-2009019149-A1 PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO disclosed
US-20090036452-A1 TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 WO disclosed
US-5519037-A N-cyanoamidine derivatives as anti-influenza agents AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-21 US disclosed
US-5475012-A Antiviral against influenza A AMERICAN HOME PRODUCTS CORPORATION (US) 1995-12-12 US disclosed
US-5380734-A N-cyanoamidine derivatives as anti-influenza agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-10 US disclosed
EP-0000816-A1 Substituted amino-pyridine derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1979-02-21 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 (5 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-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF XDH, PNPO, PNP HCAR3 1180/4885GRM5 2399/4885NPC1 441/4885
US-20090036452-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 HCAR3 26/4885GRM5 382/4885NPC1 1378/4885
US-20110281871-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 HCAR3 26/4885GRM5 382/4885NPC1 1378/4885
US-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 HCAR3 3908/4885GRM5 1229/4885NPC1 4022/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 HCAR3 467/4885GRM5 1349/4885NPC1 206/4885

“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.