SCHEMBL4802406

SCHEMBL4802406

CCOC(=O)Cc1cnc(N2CCN(C)CC2)c2cc(OC)c(OC)cc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.59
ACHE P22303 2/20 0.48
BACE1 P56817 2/20 0.48
MAPK1 P28482 1/20 0.46
PDGFRB P09619 1/20 0.42
TNF P01375 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AURKA O14965 1/20 0.39
ENPP1 P22413 1/20 0.39
KDM1A O60341 1/20 0.39
NSD2 O96028 1/20 0.39

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
SCHEMBL4808859 0.88 DPP4 (0.58) DPP4MAPK1SMN1; SMN2MAPTKDM1A
SCHEMBL4810562 0.77 DPP4 (0.70) DPP4TNFENPP1
SCHEMBL13792321 0.75 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL29356163 0.74 DPP4 (1.00) DPP4
SCHEMBL4811967 0.72 DPP4 (0.63) DPP4TNFSMN1; SMN2MAPT
SCHEMBL990673 0.70 AKT1 (0.42) DPP4SMN1; SMN2MEN1KMT2A
SCHEMBL990802 0.70 SMO (0.47) MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL4813292 0.70 DPP4 (0.60) DPP4TNF
SCHEMBL990764 0.67 MAPT (0.45) MAPK1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL20798090 0.67 MAPK1 (0.76) ACHEBACE1MAPK1PDGFRBAURKA

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 DPP4 438/4885ACHE 512/4885BACE1 2401/4885
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A DPP4 1596/4885ACHE 96/4885BACE1 3428/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A DPP4 1444/4885ACHE 90/4885BACE1 3404/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A DPP4 1828/4885ACHE 114/4885BACE1 3294/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A DPP4 1444/4885ACHE 90/4885BACE1 3404/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A DPP4 1237/4885ACHE 100/4885BACE1 3674/4885

“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.