SCHEMBL4811069

SCHEMBL4811069

C=C(C)Cn1c(N)c(N)c(=O)n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 7/20 0.39
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HTT P42858 4/20 0.39
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 2/20 0.33
STAT3 P40763 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PDE5A O76074 1/20 0.32

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
SCHEMBL4809819 0.81 CASP6 (0.45) MAPK1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL28429328 0.76 TSHR (0.46) MAPK1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL19722541 0.75 HTT (0.43) MAPK1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL22899026 0.75 HTT (0.47) MAPK1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL7321782 0.74 ADORA2A (0.46) ALDH1A1LMNASMN1; SMN2HTTPOLB
SCHEMBL4811164 0.73 ALDH1A1 (0.60) MAPK1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4254776 0.71 CCR6 (0.49) ALDH1A1LMNAKDM4EMAPT
Amisometradine SCHEMBL309300 0.71 ALDH1A1 (0.57) MAPK1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL295471 0.70 HTT (0.46) MAPK1ALDH1A1LMNAHTTKMT2A
SCHEMBL4810587 0.69 TNF (0.47) MAPK1ALDH1A1LMNASMN1; SMN2HTT

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 MAPK1 3775/4885ALDH1A1 719/4885LMNA 2074/4885
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A MAPK1 2590/4885ALDH1A1 1219/4885LMNA 2044/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A MAPK1 2597/4885ALDH1A1 1076/4885LMNA 2024/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A MAPK1 2156/4885ALDH1A1 585/4885LMNA 1202/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A MAPK1 2597/4885ALDH1A1 1076/4885LMNA 2024/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A MAPK1 1806/4885ALDH1A1 1222/4885LMNA 1974/4885

“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.