SCHEMBL883208

SCHEMBL883208

Cc1cc(C(=O)CBr)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.57
PTPN1 P18031 6/20 0.50
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CHRNB1 P11230 1/20 0.47
CHRNB2 P17787 1/20 0.47
SLC6A2 P23975 1/20 0.47
CHRNB4 P30926 1/20 0.47
SLC6A4 P31645 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CHRND Q07001 1/20 0.47
GNG2 P59768 1/20 0.42
GNB1 P62873 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL29977001 0.85 HPGD (0.57) GSK3BPTPN1ALDH1A1HPGDRAB9A
SCHEMBL1232165 0.85 HPGD (0.57) GSK3BPTPN1ALDH1A1HPGDRAB9A
SCHEMBL770793 0.85 CHRNA1 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL1726590 0.84 GSK3B (0.61) GSK3BPTPN1ALDH1A1HPGDKMT2A
SCHEMBL30187429 0.84 GSK3B (0.61) GSK3BPTPN1ALDH1A1HPGDKMT2A
SCHEMBL18356295 0.83 GSK3B (0.47) GSK3BCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL10257783 0.83 CHRNA1 (0.46) GSK3BCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3995406 0.82 GSK3B (0.59) GSK3BPTPN1GNG2GNB1
SCHEMBL7820983 0.81 CHRNA1 (0.49) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4700966 0.81 GSK3B (0.57) GSK3BPTPN1GNG2GNB1

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 124 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
US-20190071407-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2019-03-07 US disclosed
US-10155730-B2 Isoxazoline derivatives as insecticides SYNGENTA CROP PROTECTION, LLC (US) 2018-12-18 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
EP-1851232-A2 DIHYDROIMIDAZOTHIAZOLE DERIVATIVES Prosidion Limited (GB) 2007-11-07 EP disclosed
WO-2006085118-A2 DIHYDROIMIDAZOTHIAZOLE DERIVATIVES PROSIDION LIMITED (GB) 2006-08-17 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 (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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK GSK3B 3707/4885PTPN1 2816/4885CHRNA1 4085/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GSK3B 519/4885PTPN1 1524/4885CHRNA1 4512/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC GSK3B 591/4885PTPN1 417/4885CHRNA1 4649/4885
US-20190071407-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES ACHE, CHRM1, ITPR3 GSK3B 2612/4885PTPN1 2475/4885CHRNA1 105/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GSK3B 519/4885PTPN1 1524/4885CHRNA1 4512/4885
US-10155730-B2 Isoxazoline derivatives as insecticides ACHE, CHRM1, ITPR3 GSK3B 2612/4885PTPN1 2475/4885CHRNA1 105/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS GSK3B 519/4885PTPN1 1524/4885CHRNA1 4512/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GSK3B 519/4885PTPN1 1524/4885CHRNA1 4512/4885

“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.