SCHEMBL173832

SCHEMBL173832

O=C(c1nn(Cc2ccccc2F)c2ncccc12)C(O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
ADORA3 P0DMS8 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPT P10636 1/20 0.47
PDE5A O76074 15/20 0.45

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
SCHEMBL174160 0.87 ATM (0.54) ATMADORA3KCNH2MAPTPDE5A
SCHEMBL175370 0.86 ATM (0.53) ATMADORA3KCNH2MAPTPDE5A
SCHEMBL4929205 0.86 ATM (0.53) ATMADORA3KCNH2MAPTPDE5A
SCHEMBL4937101 0.86 ATM (0.53) ATMADORA3KCNH2MAPTPDE5A
SCHEMBL2878097 0.84 ADORA3 (0.53) ATMADORA3KCNH2MAPTPDE5A
SCHEMBL255820 0.81 ADORA3 (0.50) ATMADORA3KCNH2MAPTPDE5A
SCHEMBL19126771 0.81 ADORA3 (0.51) ATMADORA3KCNH2MAPTPDE5A
SCHEMBL19126595 0.81 ADORA3 (0.49) ATMADORA3KCNH2MAPTPDE5A
SCHEMBL2883538 0.81 PDE5A (0.53) ATMADORA3KCNH2MAPTPDE5A
Hydrochloric Acid SCHEMBL30507586 0.80 ADORA3 (0.49) ATMADORA3KCNH2MAPTPDE5A

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
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
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 ATM 3549/4885ADORA3 814/4885KCNH2 1555/4885

“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.