SCHEMBL3581160

SCHEMBL3581160

Fc1ccccc1Cc1n[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.68
ENPP1 P22413 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
PDPK1 O15530 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALPL P05186 1/20 0.41
IDO1 P14902 1/20 0.41
HPGD P15428 1/20 0.41
TTK P33981 1/20 0.41
MAPK10 P53779 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 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
SCHEMBL15117036 0.84 AR (0.57) ARENPP1KDM4EALDH1A1
SCHEMBL2468096 0.82 AR (0.55) ARENPP1KDM4EALDH1A1GAA
SCHEMBL4232664 0.82 AR (0.55) ARENPP1KDM4EALDH1A1PDPK1
SCHEMBL13280835 0.82 LMNA (0.53) ARENPP1KDM4EGAAPDPK1
SCHEMBL12955359 0.81 AR (1.00) ARENPP1
SCHEMBL4488375 0.80 HSPA5 (0.48) ARKDM4EALDH1A1GAAPDPK1
SCHEMBL2731246 0.78 AR (0.50) ARKDM4EALDH1A1HPGD
SCHEMBL3583918 0.78 AR (0.61) ARENPP1KDM4EALDH1A1
SCHEMBL2468319 0.77 MAPT (0.54) ARENPP1HPGDCNR1CNR2
SCHEMBL693552 0.77 PARP1 (0.52) ARENPP1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-11-14 US disclosed
US-8309551-B2 Pyrazolopyridine, indazole, imidazopyridine, imidazopyrimidine, pyrazolopyrazine and pyrazolopyridine derivatives as stimulators of guanylate cyclase for cardiovascular disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-13 US disclosed
US-8309551-B2 Pyrazolopyridine, indazole, imidazopyridine, imidazopyrimidine, pyrazolopyrazine and pyrazolopyridine derivatives as stimulators of guanylate cyclase for cardiovascular disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-13 US disclosed
US-8309551-B2 Pyrazolopyridine, indazole, imidazopyridine, imidazopyrimidine, pyrazolopyrazine and pyrazolopyridine derivatives as stimulators of guanylate cyclase for cardiovascular disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-13 US disclosed
US-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
US-20100029653-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATIVES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029653-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATIVES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029653-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATIVES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
EP-2066666-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-10 EP disclosed
WO-2008031513-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 WO disclosed
WO-2008031513-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 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 (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-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 AR 4285/4885ENPP1 2023/4885CTNNB1 2601/4885
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 AR 4285/4885ENPP1 2023/4885CTNNB1 2601/4885
US-20100029653-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATIVES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS PDE3A, PDE2A, PDE3B AR 4553/4885ENPP1 216/4885CTNNB1 3395/4885

“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.