SCHEMBL2453628

SCHEMBL2453628

CC1(C)C(=O)Nc2nc(-c3nc(Cc4ccccc4F)n4ncccc34)nc(N)c21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 5/20 0.58
GUCY1B1 Q02153 5/20 0.58
KCNH2 Q12809 4/20 0.58
PDE5A O76074 15/20 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
SCHEMBL2451684 0.94 GUCY1A1 (0.51) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL15796081 0.90 PDE5A (0.56) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL15796066 0.90 GUCY1A1 (0.52) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2454090 0.87 GUCY1A1 (0.56) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2450847 0.86 GUCY1A1 (0.57) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL13738809 0.84 PDE5A (0.55) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL13740562 0.83 PDE5A (0.56) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2451696 0.83 GUCY1A1 (0.47) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2452838 0.82 GUCY1A1 (0.52) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2454756 0.82 GUCY1A1 (0.47) GUCY1A1GUCY1B1KCNH2PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373317-B1 4-amino-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one or 4-amino-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one derivatives as activators of the soluble guanylat cyclase for the treatment of cardiovascular diseases MERCK SHARP & DOHME (US) 2016-12-14 EP claimed
US-8741910-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-06-03 US claimed
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP claimed
EP-2373317-B1 4-amino-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one or 4-amino-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one derivatives as activators of the soluble guanylat cyclase for the treatment of cardiovascular diseases MERCK SHARP & DOHME (US) 2016-12-14 EP disclosed
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
US-8741910-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP disclosed
US-20110218202-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2011-09-08 US 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 (2 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 GUCY1A1 1969/4885GUCY1B1 2158/4885KCNH2 596/4885
US-20110218202-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE2A, GUCY1A2, PDE3A GUCY1A1 5/4885GUCY1B1 8/4885KCNH2 2831/4885

“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.