SCHEMBL174990

SCHEMBL174990

CCOC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.60
KCNH2 Q12809 1/20 0.60
PDE5A O76074 10/20 0.53
GUCY1A1 Q02108 7/20 0.49
GUCY1B1 Q02153 7/20 0.49
BUB1 O43683 1/20 0.46

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
SCHEMBL15745569 0.89 ADORA3 (0.65) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL174861 0.89 ADORA3 (0.65) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL10062496 0.87 ADORA3 (0.63) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL174709 0.86 ADORA3 (0.61) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL175083 0.82 ADORA3 (0.62) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL5472954 0.81 ADORA3 (0.67) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL5477000 0.80 KCNH2 (0.84) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL9913936 0.79 ADORA3 (0.62) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL174008 0.79 PDE5A (0.57) ADORA3KCNH2PDE5ABUB1
SCHEMBL19127516 0.79 PDE5A (0.60) ADORA3KCNH2PDE5ABUB1

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 9 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
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
US-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-29 US disclosed
EP-2611802-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
WO-2012028647-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 WO 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 ADORA3 814/4885KCNH2 1555/4885PDE5A 152/4885

“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.