SCHEMBL4811504

SCHEMBL4811504

CCc1ccc2cncc(CC(=O)OC)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
PDE10A Q9Y233 5/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GFER P55789 1/20 0.38
PKM P14618 2/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HSP90AB1 P08238 1/20 0.36
CHEK1 O14757 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL4809719 0.85 SLC22A12 (0.45) CYP11B1CYP11B2MAPTGAAALDH1A1
SCHEMBL4807855 0.82 CYP11B1 (0.41) CYP11B1CYP11B2GAAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4809984 0.81 CYP11B1 (0.41) CYP11B1CYP11B2GAAALDH1A1KDM4E
SCHEMBL4816213 0.79 CYP11B1 (0.39) CYP11B1CYP11B2GAAPDE10AALDH1A1
SCHEMBL4811416 0.79 SLC22A12 (0.43) CYP11B1CYP11B2PDE10ASLC22A12
SCHEMBL18105574 0.77 CYP11B1 (0.47) CYP11B1CYP11B2MAPTGAACYP4F2
SCHEMBL4814030 0.76 GABRA1 (0.40) CYP11B1CYP11B2GAAPDE10AALDH1A1
SCHEMBL14564367 0.75 ALDH1A1 (0.40) CYP11B1CYP11B2MAPTGAAPDE10A
SCHEMBL12419939 0.75 ALDH1A1 (0.54) CYP11B1CYP11B2MAPTGAACYP4F2
SCHEMBL11470643 0.74 LCK (0.43) MAPTGAACYP4F2CYP4A11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361661-B2 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2008-04-22 US disclosed
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors BHALAY GURDIP 2006-08-03 US disclosed
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2006-05-18 US disclosed
US-7019136-B2 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS, AG (CH) 2006-03-28 US disclosed
US-6919337-B2 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS, AG (CH) 2005-07-19 US disclosed
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors BHALAY GURDIP (GB) 2005-03-10 US disclosed
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2004-02-26 US disclosed
EP-1268480-B1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS NOVARTIS AG (CH) 2003-11-05 EP disclosed
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors BHALAY GURDIP (GB) 2003-09-11 US disclosed
US-20030114469-A1 Combinations COHEN DAVID SAUL (US) 2003-06-19 US disclosed
EP-1268480-A1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS Novartis AG (CH) 2003-01-02 EP disclosed
WO-2001077110-A1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS NOVARTIS AG (CH) 2001-10-18 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 (6 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-20030114469-A1 Combinations GPR119, SLC5A1, HMGCR CYP11B1 89/4885CYP11B2 156/4885MAPT 3644/4885
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP11B1 1027/4885CYP11B2 876/4885MAPT 4839/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP11B1 1025/4885CYP11B2 904/4885MAPT 4831/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP11B1 1266/4885CYP11B2 968/4885MAPT 4774/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP11B1 1025/4885CYP11B2 904/4885MAPT 4831/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A CYP11B1 1516/4885CYP11B2 1095/4885MAPT 4815/4885

“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.