SCHEMBL910159

SCHEMBL910159

O=c1cc(-c2[c]nc3ccccn3c2=O)nc2ccccn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
GLA P06280 5/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
PRKDC P78527 1/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.40
GRM5 P41594 2/20 0.39
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
ATM Q13315 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL1659994 0.74 KDM4E (0.52) KDM4EGLAALDH1A1GAASMN1; SMN2
SCHEMBL890730 0.74 GRM5 (0.54) KDM4EALDH1A1GAASMN1; SMN2ADORA3
SCHEMBL1834856 0.71 ADORA3 (0.47) KDM4EGLAALDH1A1GAASMN1; SMN2
SCHEMBL8092386 0.70 NPC1 (0.55) KDM4EALDH1A1SMN1; SMN2ADORA3ADORA2A
SCHEMBL8099804 0.70 RAB9A (0.49) KDM4EGLAALDH1A1GAASMN1; SMN2
SCHEMBL8105987 0.70 NPC1 (0.55) KDM4EGLAALDH1A1GAASMN1; SMN2
SCHEMBL890511 0.70 DPP4 (0.49) KDM4ESMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL3958034 0.69 KDM4E (0.55) KDM4EGLAALDH1A1GAASMN1; SMN2
SCHEMBL8102203 0.69 HSP90AA1 (0.47) KDM4EGLAALDH1A1GAASMN1; SMN2
SCHEMBL31365868 0.68 KDM5B (0.50) KDM4EALDH1A1GAASMN1; SMN2ADORA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2022-01-25 US disclosed
EP-3639824-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-04-22 EP disclosed
US-20110275661-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS GLAXO GROUP LIMITED 2011-11-10 US disclosed
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 US disclosed
EP-2137196-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-06 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 (3 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-20110275661-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS NRDC, NGLY1, NISCH KDM4E 4109/4885GLA 1641/4885ALDH1A1 3489/4885
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GMPS, GNE, DHPS KDM4E 1647/4885GLA 221/4885ALDH1A1 1200/4885
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 KDM4E 4117/4885GLA 1546/4885ALDH1A1 4501/4885

“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.