SCHEMBL3656007

SCHEMBL3656007

FC(F)(F)c1ccc2nc(Cl)cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.47
BACE1 P56817 1/20 0.42
EPHX2 P34913 1/20 0.40
SCN4A P35499 1/20 0.40
PDE10A Q9Y233 1/20 0.40
METAP2 P50579 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
KIF20B Q96Q89 1/20 0.38
PARP1 P09874 1/20 0.38
NPBWR1 P48145 2/20 0.38
PDE2A O00408 1/20 0.37
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
DHFR P00374 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL30302551 0.93 KDM4E (0.50) KDM4EALDH1A1BACE1EPHX2SCN4A
SCHEMBL3655234 0.93 KDM4E (0.50) KDM4EALDH1A1BACE1EPHX2SCN4A
SCHEMBL3662373 0.82 ALDH1A1 (0.52) ALDH1A1PDE10AMETAP2
SCHEMBL16670698 0.79 KDM4E (0.50) KDM4EBACE1EPHX2SCN4APDE10A
SCHEMBL5679852 0.79 BACE1 (0.59) KDM4EBACE1EPHX2SCN4APDE10A
SCHEMBL29639042 0.79 KDM4E (0.50) KDM4EBACE1EPHX2SCN4APDE10A
SCHEMBL10849169 0.79 KDM4E (0.59) KDM4EBACE1EPHX2SCN4APDE10A
SCHEMBL20033417 0.79 KDM4E (0.50) KDM4EBACE1EPHX2SCN4APDE10A
SCHEMBL437476 0.77 KDM4E (0.61) KDM4EALDH1A1BACE1EPHX2SCN4A
SCHEMBL1721228 0.76 BACE1 (0.50) KDM4EBACE1EPHX2SCN4APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62033160-A None JP disclosed
JP-56167671-A None JP disclosed
WO-2024220556-A2 HETEROCYCLIC SUMO1 SMALL MOLECULE DEGRADERS AND USE THEREOF HB THERAPEUTICS, INC. (US) 2024-10-24 WO disclosed
CN-105873914-B Substituted quinoxaline derivatives as pest control agents 拜耳作物科学股份公司 2018-10-19 CN disclosed
CN-108191778-A It treats different things alike the method for preparing 2,3- dichloro-quinoxaline derivatives 重庆医科大学 2018-06-22 CN disclosed
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 US disclosed
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 US disclosed
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 US disclosed
EP-2867221-B1 CYANOGUANIDINES AND THEIR SUE AS ANTIVIRAL AGENTS. ABBVIE INC (US) 2018-01-17 EP disclosed
EP-3252045-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2017-12-06 EP disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
EP-0506373-B1 Cyanoketone derivative and herbicide containing it as an active component TOKUYAMA CORP (JP) 1995-11-29 EP disclosed
US-5234894-A CARBONYL ACETONITRILE DERIVATIVE AND HERBICIDE CONTAINING IT AS AN ACTIVE COMPONENT TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1993-08-10 US disclosed
EP-0506373-A2 Cyanoketone derivative and herbicide containing it as an active component TOKUYAMA CORPORATION (JP) 1992-09-30 EP disclosed
JP-S6233160-A NOVEL BENZOYL COMPOUND IHARA CHEM IND CO LTD 1987-02-13 JP disclosed
EP-0046468-A1 Quinoxaline derivatives and herbicidal composition NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1982-03-03 EP disclosed
JP-S56167671-A QUINOXALINE DERIVATIVE AND HERBICIDE NISSAN CHEM IND LTD 1981-12-23 JP disclosed
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US disclosed
US-4083977-A Novel insecticidal 1-(substituted benzoyl)-3-(substituted pyrazinyl)ureas ELI LILLY AND COMPANY (US) 1978-04-11 US 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 (1 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-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A KDM4E 3183/4885ALDH1A1 1037/4885BACE1 240/4885

“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.