SCHEMBL174527

SCHEMBL174527

CC(C)(C)OC(=O)N1CC(Nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2N)C1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.59
KCNH2 Q12809 1/20 0.59
GUCY1A1 Q02108 13/20 0.50
GUCY1B1 Q02153 13/20 0.50
PDE5A O76074 5/20 0.47

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
SCHEMBL15732829 0.89 ADORA3 (0.61) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL256526 0.85 ADORA3 (0.56) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL5475579 0.82 ADORA3 (0.56) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL256215 0.82 ADORA3 (0.59) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL174526 0.81 ADORA3 (0.57) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL19146473 0.81 ADORA3 (0.61) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL248358 0.79 ADORA3 (0.73) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL29379641 0.79 ADORA3 (0.73) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL18212217 0.79 ADORA3 (0.70) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL27557122 0.79 ADORA3 (0.67) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A

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 8 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-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 1555/4885GUCY1A1 1153/4885

“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.