SCHEMBL982756

SCHEMBL982756

c1cnc(-c2ncco2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
NISCH Q9Y2I1 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TERT O14746 4/20 0.35
HSP90AA1 P07900 1/20 0.34
LTA4H P09960 1/20 0.34
CYP1A2 P05177 1/20 0.34
PIEZO1 Q92508 2/20 0.34
GRM5 P41594 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL915530 0.74 NPC1 (0.38) NPC1PKMRAB9AHSD17B10TERT
SCHEMBL100765 0.72 HPGDS (0.46) HPGDSLTA4H
SCHEMBL29454745 0.72 NISCH (0.50) NISCHNPC1PKMRAB9AKDM4E
SCHEMBL78566 0.72 NISCH (0.50) NISCHNPC1PKMRAB9AKDM4E
SCHEMBL29598957 0.72 NISCH (0.50) NISCHNPC1PKMRAB9AKDM4E
SCHEMBL2570955 0.72 CDK2 (0.36) HPGDSNPC1PKMRAB9ALTA4H
SCHEMBL17701242 0.72 HPGDS (0.35) HPGDSLTA4HCCNCCDK8
SCHEMBL6264053 0.72 TERT (0.38) NISCHNPC1PKMRAB9AKDM4E
SCHEMBL12677958 0.72 CCNC (0.38) HPGDSLTA4HCCNCCDK8
SCHEMBL28733962 0.71 HPGDS (0.34) HPGDSLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119032092-A Pyrazinone derivative and application thereof in medicine 西藏海思科制药有限公司 2024-11-26 CN claimed
WO-2023202687-A1 PYRAZINONE DERIVATIVE AND USE THEREOF IN MEDICINE 四川海思科制药有限公司 2023-10-26 WO claimed
CN-116217558-A GLP-1 receptor agonist, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-06-06 CN claimed
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 CN claimed
CN-113559006-A A cosmetic composition for scavenging free radicals and resisting aging 河南农业大学 2021-10-29 CN claimed
CN-104603165-B Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound 日本瑞翁株式会社 2017-04-26 CN claimed
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-09-10 US claimed
CN-103819509-A Preparation method for novel Ru (II) complex containing-benzobenzoxazole and pyrazino [1,10] phenanthroline and anticancer activity of novel Ru (II) complex UNIV JIANGNAN 2014-05-28 CN claimed
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US claimed
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP claimed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP claimed
US-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 US claimed
US-20080269280-A1 OXO-IMIDAZOLIDINES AS MODULATORS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2008-10-30 US claimed
WO-2007073432-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-06-28 WO claimed
US-20070093467-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-26 US claimed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US claimed
WO-2007044804-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO claimed
WO-2007044885-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO claimed
WO-2007027734-A2 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX, INC. (US) 2007-03-08 WO claimed
US-20060074121-A1 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2006-04-06 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 (7 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-20060074121-A1 Bicyclic and bridged nitrogen heterocycles CCR3, CCR1, CCR2 HPGDS 199/4885NISCH 1965/4885NPC1 604/4885
US-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GNMT HPGDS 2472/4885NISCH 2073/4885NPC1 2779/4885
US-20070093467-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 HPGDS 67/4885NISCH 1782/4885NPC1 620/4885
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 HPGDS 2270/4885NISCH 2216/4885NPC1 2812/4885
US-20070088036-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 HPGDS 67/4885NISCH 1782/4885NPC1 620/4885
US-20080269280-A1 OXO-IMIDAZOLIDINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR4 HPGDS 146/4885NISCH 1698/4885NPC1 842/4885
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 HPGDS 2270/4885NISCH 2216/4885NPC1 2812/4885

“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.