SCHEMBL332780

SCHEMBL332780

O=C1N=C[N]c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
CDC25B P30305 3/20 0.36
MAPT P10636 6/20 0.35
POLB P06746 4/20 0.35
LMNA P02545 4/20 0.35
APAF1 O14727 4/20 0.35
RAB9A P51151 3/20 0.35
MAOA P21397 3/20 0.35
KDM4E B2RXH2 3/20 0.35
BLM P54132 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP2 O95551 2/20 0.35
RECQL P46063 2/20 0.35
GALK1 P51570 2/20 0.35
CES2 O00748 1/20 0.35
TERT O14746 1/20 0.35
NPC1 O15118 1/20 0.35
PLIN1 O60240 1/20 0.35

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
SCHEMBL362079 0.82 KMT2A (0.36) GSK3BMEN1KMT2ACDC25BMAPT
SCHEMBL209273 0.72 KDM4E (0.46) GSK3BMEN1KMT2ACDC25BMAPT
SCHEMBL208048 0.71 S100A4 (0.42) GSK3BMEN1KMT2APOLBMAOA
SCHEMBL208231 0.71 PPOX (0.42) MAPTCES1S100A4ALDH1A1LTK
SCHEMBL209071 0.71 CA1 (0.36) KDM4E
SCHEMBL209366 0.71 S100A4 (0.42) GSK3BMEN1KMT2APOLBMAOA
SCHEMBL7921203 0.70
SCHEMBL7427080 0.70 CDC25B (0.36) GSK3BMEN1KMT2ACDC25BMAPT
SCHEMBL2863 0.69
SCHEMBL94097 0.69 MEN1 (0.41) GSK3BMEN1KMT2ACDC25BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318355-B1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2018-09-12 EP claimed
EP-2496559-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS VITAE PHARMACEUTICALS INC (US) 2018-01-10 EP claimed
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP claimed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US claimed
US-9663470-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2017-05-30 US claimed
EP-1773786-B1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP claimed
EP-2220048-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP claimed
EP-2288596-B1 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2016-11-30 EP claimed
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-22 US claimed
US-9328072-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 EP claimed
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US claimed
JP-2002543065-A 2002-12-17 JP claimed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP claimed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO claimed
EP-0620813-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-10-26 EP claimed
WO-1993014069-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-07-22 WO claimed
EP-0003771-B1 CARBOSTYRILE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1982-10-20 EP claimed
US-4329347-A Cardiotonic and antithrombotic sulfur-containing derivatives of carbostyril BOEHRINGER INGELHEIM GMBH (DE) 1982-05-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 GSK3B 846/4885MEN1 1384/4885KMT2A 2123/4885
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 GSK3B 635/4885MEN1 4195/4885KMT2A 1393/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 GSK3B 201/4885MEN1 4235/4885KMT2A 3251/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 GSK3B 529/4885MEN1 3915/4885KMT2A 2813/4885

“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.