SCHEMBL3564047

SCHEMBL3564047

c1cc(-c2ncn[nH]2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
ENPP2 Q13822 1/20 0.48
MAPT P10636 2/20 0.45
PDPK1 O15530 1/20 0.45
LMNA P02545 1/20 0.43
PPARA Q07869 1/20 0.42
NPY5R Q15761 1/20 0.40
NPBWR1 P48145 1/20 0.40

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
SCHEMBL2721372 0.79 IDO1 (0.60) IDO1ENPP2PPARANPY5RNPBWR1
SCHEMBL970723 0.76 IDO1 (0.61) IDO1ENPP2NPBWR1
SCHEMBL2158677 0.76 ENPP2 (0.61) IDO1ENPP2MAPTLMNANPBWR1
SCHEMBL1440897 0.76 IDO1 (0.53) IDO1ENPP2MAPTNPBWR1
SCHEMBL23718811 0.76 IDO1 (0.50) IDO1ENPP2MAPTNPBWR1
SCHEMBL2731816 0.75 PPARA (0.65) IDO1ENPP2MAPTLMNAPPARA
SCHEMBL17767949 0.74 ENPP2 (0.59) IDO1ENPP2PDPK1
Hydrochloric Acid SCHEMBL31070748 0.71 PDPK1 (0.43) IDO1ENPP2PDPK1
SCHEMBL6616481 0.71 NPC1 (0.51) MAPT
SCHEMBL10066946 0.71 METAP2 (0.44) IDO1ENPP2LMNANPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
CN-121873041-A Topiramate preparation method of special 山东新时代药业有限公司 2026-04-17 CN disclosed
WO-2015035102-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2015-03-12 WO disclosed
US-8858831-B2 Scintillator compositions STICHTING INCAS3 (NL) 2014-10-14 US disclosed
US-20130270443-A1 SCINTILLATOR COMPOSITIONS STICHTING INCAS3 (NL) 2013-10-17 US disclosed
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 EP disclosed
US-8183262-B2 Central nervous system disorders; metabotropic glutamate receptors (mGluR); 2-(4-Pyridin-3-yl-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-7642264-B2 Phenyl-substituted pyrimidine derivatives as mGluR antagonists HOFFMAN-LA ROCHE INC. (US) 2010-01-05 US disclosed
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GATTI MCARTHUR SILVIA 2009-12-24 US disclosed
EP-2001849-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
US-5773592-A COMPRISES A CHEMILUMINESCENT MOIETY, A PHOTOCHROMIC MOIETY AND A BIOLOGICALLY ACTIVE AGENT CAPABLE OF BEING RELEASED MILLS RANDELL LEE (US) 1998-06-30 US disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 US disclosed
US-5395838-A Aromatic aminomethyl substitutes compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-07 US disclosed
US-5252573-A Quinazoline derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-12 US disclosed
EP-0414730-A4 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS 1993-06-16 EP disclosed
US-5089499-A Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 US disclosed
EP-0414730-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS Mills, Randell L. (US) 1991-03-06 EP disclosed
WO-1989009833-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS MILLS RANDELL L (US) 1989-10-19 WO disclosed
EP-0074229-B1 TRIAZOLE GASTRIC ANTI-SECRETORY AGENTS PFIZER INC. (US) 1986-04-09 EP disclosed
EP-0074229-A1 Triazole gastric anti-secretory agents PFIZER INC. (US) 1983-03-16 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 (2 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD IDO1 1826/4885ENPP2 687/4885MAPT 2279/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 IDO1 2505/4885ENPP2 966/4885MAPT 1080/4885

“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.