SCHEMBL3585772

SCHEMBL3585772

N#CC(N)Cc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
DPP4 P27487 3/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
IDO1 P14902 2/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 1/20 0.41
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
AOC3 Q16853 1/20 0.38
CTSL P07711 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
LMNA P02545 1/20 0.35

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
SCHEMBL3769468 1.00 TAAR1 (0.45) TAAR1DPP4FAPDPP8DPP9
SCHEMBL17874084 0.81 TAAR1 (0.45) TAAR1DPP4FAPDPP8DPP9
SCHEMBL6369415 0.81 TAAR1 (0.45) TAAR1DPP4FAPDPP8DPP9
SCHEMBL1443585 0.80 TAAR1 (0.43) TAAR1DPP4FAPDPP8DPP9
SCHEMBL2924446 0.78 TAAR1 (0.37) TAAR1DPP4FAPDPP8DPP9
SCHEMBL2928553 0.78 IDO1 (0.46) DPP4FAPDPP8DPP9IDO1
SCHEMBL3674139 0.77 TAAR1 (0.54) TAAR1DPP4IDO1CYP3A4CYP2D6
SCHEMBL28996981 0.77 PNMT (0.52) TAAR1DPP4FAPDPP8DPP9
SCHEMBL11681252 0.77 HSPA5 (0.50) TAAR1IDO1CYP3A4CYP2D6SLC6A2
SCHEMBL197708 0.77 TAAR1 (0.41) TAAR1DPP4FAPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20100029653-A1 PYRAZOLOPYRIDINE, INDAZOLE, IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE, PYRAZOLOPYRAZINE AND PYRAZOLOPYRIDINE DERIVATIVES AS STIMULATORS OF GUANYLATE CYCLASE FOR CARDIOVASCULAR DISORDERS PDE3A, PDE2A, PDE3B TAAR1 2754/4885DPP4 373/4885FAP 1310/4885

“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.