SCHEMBL174613

SCHEMBL174613

O=[N+]([O-])c1cnc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1Cl

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.52
GUCY1A1 Q02108 1/20 0.43
GUCY1B1 Q02153 1/20 0.43

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
SCHEMBL257046 0.89 PDE5A (0.52) PDE5AGUCY1A1GUCY1B1
SCHEMBL175738 0.89 PDE5A (0.52) PDE5AGUCY1A1GUCY1B1
SCHEMBL175414 0.88 PDE5A (0.54) PDE5A
SCHEMBL28947488 0.86 PDE5A (0.56) PDE5AGUCY1A1GUCY1B1
SCHEMBL29859262 0.86 PDE5A (0.56) PDE5AGUCY1A1GUCY1B1
SCHEMBL28947493 0.82 PDE5A (0.54) PDE5A
SCHEMBL29859337 0.82 PDE5A (0.54) PDE5A
SCHEMBL16245201 0.82 PDE5A (0.56) PDE5AGUCY1A1GUCY1B1
SCHEMBL257006 0.81 PDE5A (0.55) PDE5AGUCY1A1GUCY1B1
SCHEMBL326601 0.79 PDE5A (0.55) PDE5AGUCY1A1GUCY1B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611802-B1 BICYCLIC AZA-HETEROCYCLES AND THEIR USE BAYER IP GMBH (DE) 2016-02-24 EP disclosed
US-9096592-B2 Bicyclic aza heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-9096592-B2 Bicyclic aza heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-29 US disclosed
WO-2012028647-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 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 (1 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-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF AADAC, PAICS, TPMT PDE5A 152/4885GUCY1A1 1153/4885GUCY1B1 656/4885

“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.