SCHEMBL13740562

SCHEMBL13740562

CC1(C)C(=O)Nc2nc(-c3nc(Cc4ccccc4F)n4ncccc34)ncc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.56
GUCY1A1 Q02108 2/20 0.49
GUCY1B1 Q02153 2/20 0.49
KCNH2 Q12809 2/20 0.49

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
SCHEMBL13738809 0.85 PDE5A (0.55) PDE5AGUCY1A1GUCY1B1KCNH2
SCHEMBL15796081 0.83 PDE5A (0.56) PDE5AGUCY1A1GUCY1B1KCNH2
SCHEMBL2453628 0.83 GUCY1A1 (0.58) PDE5AGUCY1A1GUCY1B1KCNH2
SCHEMBL15796066 0.83 GUCY1A1 (0.52) PDE5AGUCY1A1GUCY1B1KCNH2
SCHEMBL17619363 0.78 PDE5A (0.54) PDE5AGUCY1A1GUCY1B1KCNH2
SCHEMBL2451684 0.77 GUCY1A1 (0.51) PDE5AGUCY1A1GUCY1B1KCNH2
SCHEMBL9913994 0.75 PDE5A (0.77) PDE5A
SCHEMBL17619288 0.72 PDE5A (0.68) PDE5A
SCHEMBL15693415 0.72 GUCY1A1 (0.62) GUCY1A1GUCY1B1KCNH2
SCHEMBL17619345 0.72 PDE5A (0.60) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705037-B1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND USE THEREOF BAYER IP GMBH (DE) 2016-06-22 EP disclosed
EP-2705037-B1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND USE THEREOF BAYER IP GMBH (DE) 2016-06-22 EP disclosed
US-20140171434-A1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND THE USE THEREOF BAYER PHARMA AKTIENGESSELLSCHAFT (DE) 2014-06-19 US disclosed
US-20140171434-A1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND THE USE THEREOF BAYER PHARMA AKTIENGESSELLSCHAFT (DE) 2014-06-19 US disclosed
US-20140171434-A1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND THE USE THEREOF BAYER PHARMA AKTIENGESSELLSCHAFT (DE) 2014-06-19 US disclosed
EP-2705037-A1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-03-12 EP disclosed
WO-2012152629-A1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-15 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-20140171434-A1 SUBSTITUTED IMIDAZOPYRIDINES AND IMIDAZOPYRIDAZINES AND THE USE THEREOF TPMT, PPIP5K2, DPP4 PDE5A 484/4885GUCY1A1 1969/4885GUCY1B1 2158/4885

“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.