SCHEMBL4809969

SCHEMBL4809969

CC(=O)N1C=Cc2cc(Br)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.43
BAZ2B Q9UIF8 2/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ABHD6 Q9BV23 1/20 0.33
PDGFRA P16234 1/20 0.33
CDK5 Q00535 1/20 0.33
TYRO3 Q06418 1/20 0.33
KMT2A Q03164 2/20 0.33
BRD4 O60885 1/20 0.33
NOTUM Q6P988 1/20 0.33
ACACB O00763 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 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
SCHEMBL4807389 0.81 HSD17B3 (0.51) HSD17B3BAZ2BNOTUM
SCHEMBL27514341 0.80 ALDH1A1 (0.38) HSD17B3KMT2AMEN1MAPTNPC1
SCHEMBL15869678 0.79 ALOX15 (0.34) HSD17B3KMT2ANOTUMMEN1MAPT
SCHEMBL6168375 0.77 HSD17B3 (0.49) HSD17B3KMT2ANOTUMMEN1MAPT
SCHEMBL15558497 0.75 TRPA1 (0.33) HSD17B3DPP8DPP9DPP7ABHD6
SCHEMBL29809465 0.75 BRD4 (0.37) HSD17B3DPP8DPP9DPP7KMT2A
SCHEMBL14131574 0.74 HSD17B3 (0.38) HSD17B3KMT2ANOTUMMEN1MAPT
SCHEMBL28263461 0.69 ALDH1A1 (0.38) HSD17B3PDGFRACDK5TYRO3KMT2A
SCHEMBL4807201 0.69 BRD4 (0.40) ABHD6KMT2ABRD4MEN1MAPT
SCHEMBL16101941 0.68 NOTUM (0.60) HSD17B3BAZ2BDPP8DPP9DPP7

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 HSD17B3 26/4885BAZ2B 4607/4885DPP8 1422/4885
US-20060106214-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A HSD17B3 508/4885BAZ2B 3816/4885DPP8 215/4885
US-20050054660-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A HSD17B3 517/4885BAZ2B 3662/4885DPP8 202/4885
US-20040038996-A1 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A HSD17B3 422/4885BAZ2B 3864/4885DPP8 203/4885
US-20060173181-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors PDE5A, PDE3A, PDE2A HSD17B3 517/4885BAZ2B 3662/4885DPP8 202/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A HSD17B3 635/4885BAZ2B 3491/4885DPP8 142/4885

“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.