SCHEMBL256228

SCHEMBL256228

Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1N=C(c1ccccc1Cl)CCN2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 13/20 0.51
GUCY1B1 Q02153 13/20 0.51
ADORA3 P0DMS8 1/20 0.49
KCNH2 Q12809 1/20 0.49
PDE5A O76074 5/20 0.48

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
SCHEMBL15732917 0.89 GUCY1A1 (0.51) GUCY1A1GUCY1B1ADORA3KCNH2PDE5A
SCHEMBL175190 0.89 GUCY1A1 (0.55) GUCY1A1GUCY1B1ADORA3KCNH2PDE5A
SCHEMBL256219 0.87 KDR (0.51) GUCY1A1GUCY1B1ADORA3KCNH2PDE5A
SCHEMBL174855 0.86 GUCY1A1 (0.56) GUCY1A1GUCY1B1ADORA3KCNH2PDE5A
SCHEMBL174664 0.80 GUCY1A1 (0.59) GUCY1A1GUCY1B1ADORA3KCNH2PDE5A
Hydrochloric Acid SCHEMBL15732830 0.79 GUCY1A1 (0.58) GUCY1A1GUCY1B1ADORA3KCNH2PDE5A
SCHEMBL174847 0.76 ADORA3 (0.67) GUCY1A1GUCY1B1ADORA3KCNH2PDE5A
SCHEMBL5776111 0.76 ADORA3 (0.62) GUCY1A1GUCY1B1ADORA3KCNH2PDE5A
SCHEMBL175245 0.75 ADORA3 (0.58) GUCY1A1GUCY1B1ADORA3KCNH2PDE5A
Hydrochloric Acid SCHEMBL18496411 0.75 ADORA3 (0.66) GUCY1A1GUCY1B1ADORA3KCNH2PDE5A

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-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
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 GUCY1A1 1153/4885GUCY1B1 656/4885ADORA3 814/4885

“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.