SCHEMBL3587879

SCHEMBL3587879

CCOC(=O)c1nc(Cc2ccccc2F)n2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 1/20 0.52
GUCY1B1 Q02153 1/20 0.52
KCNH2 Q12809 1/20 0.52
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ELANE P08246 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL31282470 0.83 PTGS1 (0.48) PTGS1PTGS2MAPK1ALDH1A1KDM4E
SCHEMBL3571510 0.82 GUCY1A1 (0.54) GUCY1A1GUCY1B1KCNH2ALDH1A1KDM4E
SCHEMBL3582281 0.80 GUCY1A1 (0.55) GUCY1A1GUCY1B1KCNH2ALDH1A1KDM4E
SCHEMBL16516735 0.75 KDM4E (0.54) PTGS1PTGS2MAPK1ALDH1A1KDM4E
SCHEMBL17610978 0.74 GABRA2 (0.46) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL1310922 0.73 PTPN2 (0.53) PTGS1PTGS2MAPK1ALDH1A1KDM4E
SCHEMBL1127429 0.73 ALDH1A1 (0.45) MAPK1ALDH1A1KDM4EGAAGLA
SCHEMBL3790221 0.73 CDC25B (0.44) PTGS1PTGS2MAPK1ALDH1A1KDM4E
SCHEMBL9733754 0.72 ALDH1A1 (0.44) MAPK1ALDH1A1KDM4EGAAMEN1
SCHEMBL17438015 0.72 PTGS1 (0.49) PTGS1PTGS2MAPK1ALDH1A1KDM4E

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-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
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
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 GUCY1A1 32/4885GUCY1B1 21/4885KCNH2 217/4885

“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.