SCHEMBL4812436

SCHEMBL4812436

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.60
ALDH1A1 P00352 4/20 0.52
PARG Q86W56 2/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ERCC5 P28715 1/20 0.44
KMT2A Q03164 3/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL4802821 0.85 PKM (0.53) PKMALDH1A1LMNASMN1; SMN2RXFP1
SCHEMBL4813124 0.80 CYP3A4 (0.63) PKMALDH1A1PARGLMNASMN1; SMN2
SCHEMBL4811841 0.68 POLB (0.59) PKMALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL5940474 0.66 TSHR (0.56) ALDH1A1LMNASMN1; SMN2RXFP1CYP2C19
SCHEMBL1278968 0.65 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2KDM4EKMT2A
SCHEMBL1146000 0.65 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2KDM4EKMT2ACYP2C19
SCHEMBL4040330 0.65 KDM4E (0.75) PKMALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL23775577 0.65 KDM4E (0.69) PKMALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL16028245 0.65 ALDH1A1 (0.47) PKMALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL274924 0.65 TSHR (0.79) ALDH1A1LMNASMN1; SMN2KDM4EKMT2A

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 PKM 1788/4885ALDH1A1 719/4885PARG 2000/4885
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A PKM 2207/4885ALDH1A1 1219/4885PARG 3084/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A PKM 2083/4885ALDH1A1 1076/4885PARG 2955/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A PKM 2447/4885ALDH1A1 585/4885PARG 2657/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A PKM 2083/4885ALDH1A1 1076/4885PARG 2955/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A PKM 2266/4885ALDH1A1 1222/4885PARG 2973/4885

“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.