SCHEMBL474257

SCHEMBL474257

O=C(CBr)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.56
PTPN1 P18031 6/20 0.56
KIF11 P52732 5/20 0.51
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
NOTUM Q6P988 1/20 0.41

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
SCHEMBL129133 0.86 PTPN1 (0.56) GSK3BPTPN1KCNQ3KCNQ2KCNE1
SCHEMBL30129534 0.86 PTPN1 (0.56) GSK3BPTPN1KCNQ3KCNQ2KCNE1
SCHEMBL5365512 0.86 GSK3B (0.59) GSK3BPTPN1KIF11NOTUM
SCHEMBL8374038 0.83 KIF11 (0.55) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9955538 0.83 NOTUM (0.59) GSK3BPTPN1KIF11NOTUM
SCHEMBL23112384 0.81 GSK3B (0.54) GSK3BPTPN1NOTUM
Hydrochloric Acid SCHEMBL15732413 0.81 KIF11 (0.50) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL23112403 0.81 GSK3B (0.54) GSK3BPTPN1KIF11NOTUM
SCHEMBL7779146 0.81 PTPN1 (0.58) GSK3BPTPN1NOTUM
SCHEMBL30580694 0.81 PTPN1 (0.58) GSK3BPTPN1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN disclosed
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
US-8163921-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
EP-2411396-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
EP-2411393-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
EP-2265606-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2010125469-A1 PYRIMIDINEDIONE-FUSED HETEROCYCLIC COMPOUNDS AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-04 WO disclosed
WO-2010109334-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010109287-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-30 WO disclosed
US-20090274652-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
WO-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK GSK3B 3707/4885PTPN1 2816/4885KIF11 4211/4885
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 GSK3B 975/4885PTPN1 674/4885KIF11 4829/4885
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC GSK3B 242/4885PTPN1 2744/4885KIF11 2007/4885
US-20090274652-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL GSK3B 1521/4885PTPN1 1786/4885KIF11 3793/4885
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 GSK3B 3781/4885PTPN1 2425/4885KIF11 4821/4885

“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.