SCHEMBL620322

SCHEMBL620322

O=C1CNc2ccc(F)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
SMYD3 Q9H7B4 2/20 0.43
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
PGR P06401 1/20 0.38
TP53 P04637 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
GABRA1 P14867 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
SCHEMBL30509187 1.00 CYP11B1 (0.43) CYP11B1CYP11B2SMYD3KMT2ACYP1A2
SCHEMBL8882756 0.92 CYP11B1 (0.50) CYP11B1CYP11B2SMYD3KMT2ACYP1A2
SCHEMBL29126120 0.81 PARP1 (0.45) KMT2ACYP1A2MAPTCYP2C19CA12
SCHEMBL30697324 0.81 PARP1 (0.45) KMT2ACYP1A2MAPTCYP2C19CA12
SCHEMBL26820457 0.80 PARP1 (0.47) KMT2ACYP1A2MAPTCYP2C19CA1
SCHEMBL3154045 0.80 GRM5 (0.45) KMT2ACYP1A2MAPTCYP2C19PARP1
SCHEMBL22278373 0.78 CMA1 (0.56) CYP11B1CYP11B2SMYD3KMT2ACA12
SCHEMBL14361898 0.78 CYP11B1 (0.42) CYP11B1CYP11B2SMYD3PGRTP53
SCHEMBL3594659 0.77 CA9 (0.53) CYP11B1CYP11B2SMYD3KMT2AMAPT
SCHEMBL30509190 0.77 AHR (0.55) CYP11B1CYP11B2SMYD3KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462636-A Synthesis method of 3-alkyl quinoxaline-2 (1H) ketone compound mediated by visible light 河南师范大学 2023-07-21 CN disclosed
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 EP disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 EP disclosed
CN-107072985-B Therapeutic inhibiting compounds 莱福斯希医药公司 2020-02-07 CN disclosed
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
EP-0590022-A1 IMIDAZO 1,5-a]QUINOXALINES PHARMACIA & UPJOHN COMPANY (US) 1994-04-06 EP disclosed
WO-1992022552-A1 IMIDAZO[1,5-a]QUINOXALINES THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed
US-RE30415-E ANTIINFLAMMATORY AGENTS, ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1980-10-07 US disclosed
US-RE30314-E ANTIINFLAMMATORY, ANTITHROMBOTIC ELI LILLY AND COMPANY (US) 1980-06-24 US disclosed
US-4133884-A Substituted pyrroloquinoxalinones and diones used in treating inflammation in warm blooded mammals ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4087527-A ANTIINFLAMMATORY AND ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-4075206-A ANTIINFLAMMATORY, ANTITHROMBOTIC ELI LILLY AND COMPANY (US) 1978-02-21 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 (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-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CYP11B1 2457/4885CYP11B2 2560/4885SMYD3 3118/4885
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CYP11B1 2457/4885CYP11B2 2560/4885SMYD3 3118/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 CYP11B1 2457/4885CYP11B2 2560/4885SMYD3 3118/4885

“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.