SCHEMBL15965411

SCHEMBL15965411

COc1cc(C(=O)CBr)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.56
CTNNB1 P35222 2/20 0.51
WNT3A P56704 2/20 0.51
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.47
PTPN1 P18031 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE4B Q07343 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44

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
SCHEMBL2462140 0.86 GSK3B (0.56) GSK3BCTNNB1WNT3ATAS1R3TAS1R1
SCHEMBL29620831 0.86 TSHR (0.63) GSK3BCTNNB1WNT3ATSHRMAPT
SCHEMBL426444 0.86 TSHR (0.63) GSK3BCTNNB1WNT3ATSHRMAPT
SCHEMBL15965403 0.84 MEN1 (0.60) CTNNB1WNT3ATAS1R3TAS1R1TSHR
SCHEMBL15965424 0.84 CTNNB1 (0.53) CTNNB1WNT3ATAS1R3TAS1R1TSHR
SCHEMBL5050071 0.83 GSK3B (0.49) GSK3BTAS1R3TAS1R1TSHRPTPN1
SCHEMBL19318659 0.83 GSK3B (0.56) GSK3BCTNNB1WNT3ATSHRMAPT
SCHEMBL12937549 0.83 CTNNB1 (0.51) CTNNB1WNT3ATAS1R3TAS1R1TSHR
SCHEMBL11335265 0.83 MAPT (0.55) CTNNB1WNT3ATAS1R3TAS1R1TSHR
SCHEMBL1119567 0.83 MEN1 (0.66) GSK3BTSHRMAPTCYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-14 US disclosed
US-11147884-B2 Inhibitors of NHE-mediated antiport ARDELYX, INC. (US) 2021-10-19 US disclosed
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-04-13 US disclosed
US-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
US-20190048002-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
US-10138234-B2 2-phenyl or 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2018-11-27 US disclosed
US-9801961-B2 2-phenylimidazo[1,2-a]pyrimidines as imaging agents HOFFMANN-LA ROCHE INC. (US) 2017-10-31 US disclosed
US-20170128598-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS HOFFMANN-LA ROCHE INC. (US) 2017-05-11 US disclosed
EP-2999701-B1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS HOFFMANN LA ROCHE (US) 2017-04-12 EP disclosed
EP-2991983-B1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-A]PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
US-20160244441-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-08-25 US disclosed
US-9359391-B2 Selective C—O bond cleavage of oxidized lignin and lignin-type materials into simple aromatic compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-06-07 US disclosed
EP-2999701-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS Hoffmann-La Roche Inc. (US) 2016-03-30 EP disclosed
EP-2991983-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-03-09 EP disclosed
US-20150259368-A1 SELECTIVE C-O BOND CLEAVAGE OF OXIDIZED LIGNIN AND LIGNIN-TYPE MATERIALS INTO SIMPLE AROMATIC COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-09-17 US disclosed
US-8969534-B2 Selective aerobic alcohol oxidation method for conversion of lignin into simple aromatic compounds Wisconsin Alumni Research Foundataion (US) 2015-03-03 US disclosed
WO-2014177458-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed
US-20140235838-A1 SELECTIVE AEROBIC ALCOHOL OXIDATION METHOD FOR CONVERSION OF LIGNIN INTO SIMPLE AROMATIC COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-08-21 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 (10 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-20150259368-A1 SELECTIVE C-O BOND CLEAVAGE OF OXIDIZED LIGNIN AND LIGNIN-TYPE MATERIALS INTO SIMPLE AROMATIC COMPOUNDS AOC2, AOX1, AOC3 GSK3B 3206/4885CTNNB1 3036/4885WNT3A 4164/4885
US-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTR3D, GDI2, GDI1 GSK3B 4403/4885CTNNB1 3553/4885WNT3A 2832/4885
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HTR3D, PTGDR2, PTGIR GSK3B 4244/4885CTNNB1 3012/4885WNT3A 1678/4885
US-10138234-B2 2-phenyl or 2-hetaryl imidazol[1,2-a]pyridine derivatives CNKSR1, HCAR3, HCAR1 GSK3B 4112/4885CTNNB1 2832/4885WNT3A 1516/4885
US-20170128598-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS MAPT, AOC2, AOC3 GSK3B 1795/4885CTNNB1 772/4885WNT3A 1823/4885
US-20160244441-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTT, HCAR2, HCAR3 GSK3B 3680/4885CTNNB1 3029/4885WNT3A 4135/4885
US-20190048002-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTR3D, GDI2, GDI1 GSK3B 4403/4885CTNNB1 3553/4885WNT3A 2832/4885
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives TBXA2R, HRH2, CYP4F3 GSK3B 4628/4885CTNNB1 4475/4885WNT3A 3126/4885
US-11147884-B2 Inhibitors of NHE-mediated antiport SLC10A1, SLC10A2, SLC9A2 GSK3B 2544/4885CTNNB1 1931/4885WNT3A 3041/4885
US-20140235838-A1 SELECTIVE AEROBIC ALCOHOL OXIDATION METHOD FOR CONVERSION OF LIGNIN INTO SIMPLE AROMATIC COMPOUNDS AOX1, SOD1, NOX4 GSK3B 4653/4885CTNNB1 3148/4885WNT3A 3719/4885

“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.