SCHEMBL3608478

SCHEMBL3608478

O=C(O)/C=C/c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.52
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 4/20 0.47
KMT2A Q03164 4/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MAPK1 P28482 3/20 0.47
MEN1 O00255 3/20 0.47
BACE1 P56817 2/20 0.47
LMNA P02545 2/20 0.47
CA12 O43570 2/20 0.47
AKR1B10 O60218 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
AKR1B1 P15121 2/20 0.47
CA4 P22748 2/20 0.47

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
SCHEMBL11249530 1.00 PLA2G4A (0.52) PLA2G4AMAPTTDP1ATMKDM4E
SCHEMBL3608483 1.00 PLA2G4A (0.52) PLA2G4AMAPTTDP1ATMKDM4E
SCHEMBL1903142 0.88 PLA2G4A (0.59) PLA2G4AMAPTTDP1KDM4EKMT2A
SCHEMBL31697463 0.88 PLA2G4A (0.59) PLA2G4AMAPTTDP1KDM4EKMT2A
SCHEMBL15709537 0.88 PLA2G4A (0.59) PLA2G4AMAPTTDP1KDM4EKMT2A
SCHEMBL1903144 0.88 PLA2G4A (0.59) PLA2G4AMAPTTDP1KDM4EKMT2A
SCHEMBL2264118 0.83 KDM4E (0.62) PLA2G4AMAPTTDP1KDM4EKMT2A
SCHEMBL2264126 0.83 KDM4E (0.62) PLA2G4AMAPTTDP1KDM4EKMT2A
SCHEMBL30680738 0.82 TTR (0.52) MAPTTDP1ATMKDM4EKMT2A
SCHEMBL7750518 0.82 TTR (0.52) MAPTTDP1ATMKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4353717-A1 NOVEL ARYL ETHER SUBSTITUTED HETEROCYCLIC COMPOUND AS GLP1R AGONIST Mindrank AI Ltd. (CN) 2024-04-17 EP disclosed
US-20240067630-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS MINDRANK AI LTD. (CN) 2024-02-29 US disclosed
CN-117242067-A Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2023-12-15 CN disclosed
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 CN disclosed
US-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-08-29 US disclosed
US-8338595-B2 Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
EP-1765823-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORP (US) 2010-03-31 EP disclosed
US-20100075958-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-7563791-B2 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents BAYER PHARMACEUTICALS CORPORATION (US) 2009-07-21 US disclosed
US-20070208013-A1 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-06 US disclosed
EP-1765823-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
WO-2005121147-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-22 WO disclosed
US-4333940-A Ring-fluorinated 4-(monosubstituted-amino) phenyl compounds in inhibiting atherosclerotic lesion development AMERICAN CYANAMID COMPANY (US) 1982-06-08 US disclosed
US-4243609-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-01-06 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 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 (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-20240067630-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS GLP1R, GIPR, GCGR PLA2G4A 3814/4885MAPT 2983/4885TDP1 4128/4885
US-20100075958-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS MKI67, TK2, CDK4 PLA2G4A 3837/4885MAPT 888/4885TDP1 561/4885
US-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS MKI67, TK2, CDK4 PLA2G4A 3837/4885MAPT 888/4885TDP1 561/4885
US-20070208013-A1 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents MKI67, CCNA1, CCNI PLA2G4A 3496/4885MAPT 2446/4885TDP1 433/4885

“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.