SCHEMBL930582

SCHEMBL930582

O=C(O)Cc1cnc(Cl)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.48
NAPRT Q6XQN6 2/20 0.39
AKR1B1 P15121 2/20 0.36
GABRA5 P31644 3/20 0.36
GABRB2 P47870 3/20 0.36
GABRA1 P14867 2/20 0.36
GABRA4 P48169 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36

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
SCHEMBL30260491 0.82 SIRT6 (0.57) SIRT6NAPRTALDH1A1NFKB1TSHR
SCHEMBL27940385 0.78 GABRA5 (0.38) NAPRTAKR1B1GABRA5GABRB2GABRA1
SCHEMBL30260433 0.77 SIRT6 (0.43) SIRT6NAPRTALDH1A1NFKB1JUN
SCHEMBL27837903 0.77 GABRA5 (0.37) NAPRTAKR1B1GABRA5GABRB2GABRA1
SCHEMBL28845160 0.77 SIRT6 (0.41) SIRT6ALDH1A1
SCHEMBL28940883 0.77 GABRA5 (0.37) NAPRTAKR1B1GABRA5GABRB2GABRA1
SCHEMBL27940310 0.77 AGBL2 (0.38) NAPRTAKR1B1GABRA5GABRB2GABRA1
SCHEMBL2729582 0.75 GABRA5 (0.53) NAPRTGABRA5GABRB2GABRA1GABRA4
SCHEMBL29593515 0.75 AGBL2 (0.41) GABRA5GABRB2GABRA1GABRA4HSD17B10
SCHEMBL1363917 0.75 AGBL2 (0.41) GABRA5GABRB2GABRA1GABRA4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101445505-B The heteroaryl benzamide derivatives of GLK activator is used as in treatment diabetes ASTRAZENECA (SWEDEN) AB (SE) 2016-04-20 CN disclosed
CN-103797010-B As the azetidinyl phenyl of JAK inhibitor, pyridyl or pyrazinyl carboxamides derivatives INCYTE HOLDINGS CORP. (US) 2016-02-24 CN disclosed
CN-105324385-A Bace inhibitors LILLY CO ELI 2016-02-10 CN disclosed
CN-103502237-B Faah inhibitor IRONWOOD PHARMACEUTICALS, INC. (US) 2016-01-20 CN disclosed
CN-103732583-B TRPV4 antagonist GLAXOSMITHKLINE LLC (GB) 2015-12-23 CN disclosed
CN-105164121-A Perfluorinated cyclopropyl-fused 1, 3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use thereof AMGEN INC 2015-12-16 CN disclosed
CN-105111154-A Novel technology for synthesizing 5-aminopyrazine-2-methanoic acid SHANGHAI RAINBOW CHEMISTRY CO LTD 2015-12-02 CN disclosed
CN-103717599-B Indazole PFIZER LTD. (GB) 2015-11-25 CN disclosed
CN-104936956-A Amino-substituted isothiazoles Bayer Pharma AG 2015-09-23 CN disclosed
CN-104837830-A Novel pyrazine derivatives as CB2 receptor agonists HOFFMANN LA ROCHE 2015-08-12 CN disclosed
CN-101386618-A Heteroaryl benzamide derivatives for use as glk activators in the treatment of diabetes ASTRAZENECA AB (SE) 2009-03-18 CN disclosed
CN-101258150-A Heteroaryl benzamide derivatives for use as glk activators in the treatment of diabetes ASTRAZENECA AB (SE) 2008-09-03 CN disclosed
CN-101228162-A 2-phenyl substituted imidazol [4,5b]pyridine/ pyrazine and purine derivatives as glucokinase modulators ASTRAZENECA AB (SE) 2008-07-23 CN disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US disclosed
CN-101163692-A Heterocyclic substituted piperazines with cxcr3 antagonist activity PHARMACOPEIA DRUG DISCOVERY (US) 2008-04-16 CN disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
EP-1673355-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2006-06-28 EP disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO disclosed
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. PFIZER INC. 2005-05-19 US disclosed
WO-2005028452-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-03-31 WO 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-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. OXTR, OPRL1, NPY4R SIRT6 3609/4885NAPRT 3811/4885AKR1B1 2796/4885
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists OXTR, PRLHR, KISS1R SIRT6 3743/4885NAPRT 4334/4885AKR1B1 2179/4885

“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.