SCHEMBL4813124

SCHEMBL4813124

CC(=O)Nc1ccc(Cn2c(N)cc(=O)n(C)c2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.63
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
PARG Q86W56 2/20 0.48
RXFP1 Q9HBX9 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MTHFD2 P13995 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.42
ERCC5 P28715 1/20 0.42
P2RX3 P56373 2/20 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
SCHEMBL4810265 0.86 CYP3A4 (0.62) CYP3A4PKMHPGDALDH1A1TP53
Acetic Acid SCHEMBL4803470 0.83 CYP3A4 (0.72) CYP3A4PKMHPGDALDH1A1KDM4E
SCHEMBL4812436 0.80 PKM (0.60) PKMHPGDPARGRXFP1ALDH1A1
SCHEMBL9748739 0.75 CYP3A4 (0.68) CYP3A4HPGDPARGRXFP1ALDH1A1
Acetic Acid SCHEMBL4812178 0.74 CYP3A4 (0.71) CYP3A4PKMHPGDALDH1A1SMN1; SMN2
SCHEMBL4809767 0.74 CYP3A4 (0.66) CYP3A4PKMHPGDALDH1A1SMN1; SMN2
SCHEMBL4802821 0.68 PKM (0.53) PKMHPGDRXFP1ALDH1A1SMN1; SMN2
Amisometradine SCHEMBL309300 0.67 ALDH1A1 (0.57) CYP3A4HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL1278968 0.65 ALDH1A1 (0.61) CYP3A4HPGDALDH1A1KDM4ETP53
SCHEMBL1146000 0.65 SMN1; SMN2 (0.59) CYP3A4HPGDALDH1A1KDM4ETP53

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 14 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
CN-1176922-C 8-quinolinxanthine and 8-isoquinolinxanthine derivs. as PDE 5 inhibitors ��˹��ŵ�� 2004-11-24 CN 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
CN-1420887-A 8-quinolinxanthine and 8-isoquinolinxanthine derivs. as PDE 5 inhibitors NOVARTIS AG (CH) 2003-05-28 CN 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 CYP3A4 1061/4885PKM 1788/4885HPGD 390/4885
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 634/4885PKM 2207/4885HPGD 355/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 618/4885PKM 2083/4885HPGD 342/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 730/4885PKM 2447/4885HPGD 251/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 618/4885PKM 2083/4885HPGD 342/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A CYP3A4 1064/4885PKM 2266/4885HPGD 481/4885

“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.