SCHEMBL2264689

SCHEMBL2264689

Cc1ccc(C(=O)O)c(N)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
GABRP O00591 3/20 0.46
GABRD O14764 3/20 0.46
GABRA1 P14867 3/20 0.46
GABRB1 P18505 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
GABRA4 P48169 3/20 0.46
GABRE P78334 3/20 0.46
GABRA6 Q16445 3/20 0.46
GABRG1 Q8N1C3 3/20 0.46
GABRG3 Q99928 3/20 0.46
GABRQ Q9UN88 3/20 0.46
G6PD P11413 1/20 0.44
CASP7 P55210 1/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL2930434 0.83 KDM4E (0.50) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL28946677 0.81 CASP7 (0.45) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL1149742 0.81 KDM4E (0.48) KDM4EGABRPGABRDGABRA1GABRB1
Formic Acid SCHEMBL4566173 0.80 GABRP (0.43) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL10800974 0.79 KDM4E (0.47) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL27449542 0.79 KDM4E (0.47) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL1005989 0.79 KDM4E (0.53) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL1936626 0.78 CYP1A2 (0.44) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL13618999 0.78 PRSS1 (0.39) KMT2APOLBRECQL
SCHEMBL21415484 0.78 KDM4E (0.46) KDM4EGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220046923-A1 HERBICIDAL CINNOLINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-02-17 US disclosed
EP-3898594-A1 HERBICIDAL CINNOLINIUM COMPOUNDS Syngenta Crop Protection AG (CH) 2021-10-27 EP disclosed
CN-113195455-A Herbicidal cinnolinium compounds 先正达农作物保护股份公司 2021-07-30 CN disclosed
WO-2020127168-A1 HERBICIDAL CINNOLINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-06-25 WO disclosed
US-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US disclosed
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 US disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 US disclosed
EP-1976836-A2 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES Amgen Inc. (US) 2008-10-08 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 WO disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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 (5 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 KDM4E 1851/4885GABRP 3806/4885GABRD 3742/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 KDM4E 1653/4885GABRP 3722/4885GABRD 4555/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KDM4E 1851/4885GABRP 3806/4885GABRD 3742/4885
US-20220046923-A1 HERBICIDAL CINNOLINIUM COMPOUNDS DDT, DERL1, CES2 KDM4E 3169/4885GABRP 2052/4885GABRD 1319/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 KDM4E 1444/4885GABRP 3958/4885GABRD 4585/4885

“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.