SCHEMBL20113370

SCHEMBL20113370

Cc1c(F)cnc(C#N)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.35
USP7 Q93009 1/20 0.35
DAO P14920 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
EPHX2 P34913 1/20 0.32
EGLN2 Q96KS0 2/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL29368821 1.00 USP8 (0.35) USP8USP7DAOKDM4EALDH1A1
SCHEMBL7585113 0.80 KDM4E (0.35) KDM4EALDH1A1POLBEGLN2CYP11B1
SCHEMBL24424865 0.80 KDM4E (0.46) USP8USP7DAOKDM4EALDH1A1
SCHEMBL34468447 0.80 USP8 (0.33) USP8USP7DAOKDM4EALDH1A1
SCHEMBL2596849 0.79 KDM4E (0.32) KDM4EALDH1A1POLBEGLN2
SCHEMBL24455335 0.79 KDM4E (0.33) KDM4EALDH1A1POLBCYP11B1CYP11B2
SCHEMBL29877981 0.73 KDM4E (0.32) KDM4EALDH1A1POLB
SCHEMBL16923273 0.72 PIK3CD (0.34) KDM4EALDH1A1POLB
SCHEMBL16769277 0.71 CYP11B1 (0.40) USP8USP7KDM4EALDH1A1POLB
SCHEMBL25559596 0.71 CHEK1 (0.37) USP8USP7KDM4EALDH1A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11466027-B2 Modulators of the NMDA receptor H. LUNDBECK A/S (DK) 2022-10-11 US disclosed
US-20220213117-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-07-07 US disclosed
US-11358971-B2 Prodrugs of modulators of the NMDA receptor H. LUNDBECK A/S (DK) 2022-06-14 US disclosed
CN-114008054-A NMDA receptor modulators H.隆德贝克有限公司 2022-02-01 CN disclosed
CN-114008053-A Prodrugs of NMDA receptor modulators H.隆德贝克有限公司 2022-02-01 CN disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20210047342-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-02-18 US disclosed
WO-2021001420-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-01-07 WO disclosed
US-20210002292-A1 MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-01-07 US disclosed
WO-2021001423-A1 MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-01-07 WO disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 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 (8 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-11466027-B2 Modulators of the NMDA receptor GRIN1, GRIN2A, GRIN3A USP8 4142/4885USP7 4250/4885DAO 809/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 USP8 3888/4885USP7 4270/4885DAO 3159/4885
US-11358971-B2 Prodrugs of modulators of the NMDA receptor GRIN3A, GRIN1, GRIN2A USP8 2982/4885USP7 3729/4885DAO 564/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 USP8 3888/4885USP7 4270/4885DAO 3159/4885
US-20210002292-A1 MODULATORS OF THE NMDA RECEPTOR GRIN1, GRIN2A, GRIN3A USP8 4142/4885USP7 4250/4885DAO 809/4885
US-20210047342-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR GRIN3A, GRIN1, GRIN2A USP8 2982/4885USP7 3729/4885DAO 564/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 USP8 3888/4885USP7 4270/4885DAO 3159/4885
US-20220213117-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR GRIN3A, GRIN1, GRIN2A USP8 2982/4885USP7 3729/4885DAO 564/4885

“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.