SCHEMBL636992

SCHEMBL636992

COC(=O)c1cc(C)c(N)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.45
PKM P14618 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
HSP90AA1 P07900 1/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TPMT P51580 1/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5217104 0.90 VCAM1 (0.55) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL5217118 0.86 VCAM1 (0.51) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL29930566 0.86 VCAM1 (0.51) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL20839509 0.84 TPMT (0.54) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL443612 0.84 ALDH1A1 (0.51) VCAM1MAPTKDM4EALDH1A1MEN1
SCHEMBL4199372 0.84 VCAM1 (0.50) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL31161317 0.84 VCAM1 (0.52) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL15432231 0.84 VCAM1 (0.52) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL18031418 0.83 ALDH1A1 (0.49) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL1759189 0.83 MAPT (0.50) VCAM1MAPTKDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227762-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES BEONE MEDICINES I GMBH (CH) 2022-07-21 US disclosed
WO-2022135365-A1 DISUBSTITUTED CYCLOPENTANE KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-30 WO disclosed
CN-113891880-A Amide substituted imidazo compounds as selective inhibitors of indoleamine 2, 3-dioxygenase 百济神州有限公司 2022-01-04 CN disclosed
WO-2020233677-A1 PROCESS FOR PREPARING AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS BEIGENE (BEIJING) CO., LTD. (CN) 2020-11-26 WO disclosed
WO-2020233676-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2020-11-26 WO disclosed
WO-2020233676-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2020-11-26 WO disclosed
WO-2020156323-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-08-06 WO disclosed
WO-2020119606-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-18 WO disclosed
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-12 US disclosed
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-10-11 US disclosed
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-09 US disclosed
US-7407955-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-08-05 US disclosed
US-7217711-B2 Piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-15 US disclosed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
US-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 US disclosed
US-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof BETHESDA PHARMACEUTICALS, INC. 2005-01-27 US disclosed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
WO-2004082621-A2 NOVEL PPAR AGONISTS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BETHESDA PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US 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 (8 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-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 VCAM1 4116/4885MAPT 511/4885KDM4E 829/4885
US-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions DPP4, DPP3, DPP7 VCAM1 4274/4885MAPT 486/4885KDM4E 844/4885
US-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof PPARG, PPARD, PPARA VCAM1 1470/4885MAPT 3335/4885KDM4E 3275/4885
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 VCAM1 509/4885MAPT 4847/4885KDM4E 1256/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 VCAM1 4116/4885MAPT 511/4885KDM4E 829/4885
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 VCAM1 4196/4885MAPT 423/4885KDM4E 779/4885
US-20220227762-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES IDO1, IDO2, AADAC VCAM1 4434/4885MAPT 2047/4885KDM4E 491/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 VCAM1 3353/4885MAPT 1029/4885KDM4E 1974/4885

“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.