SCHEMBL2454744

SCHEMBL2454744

CCC1(C)C(=O)Nc2nc(-c3nc(Cc4ccccc4F)n4ccccc34)nc(N)c21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 19/20 0.55
GUCY1B1 Q02153 19/20 0.55
KCNH2 Q12809 4/20 0.55
PDE5A O76074 1/20 0.39

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
SCHEMBL2450847 0.90 GUCY1A1 (0.57) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14777188 0.87 GUCY1A1 (0.54) GUCY1A1GUCY1B1KCNH2
SCHEMBL2453501 0.85 GUCY1A1 (0.51) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14776795 0.85 GUCY1A1 (0.52) GUCY1A1GUCY1B1KCNH2
SCHEMBL14777025 0.82 GUCY1A1 (0.51) GUCY1A1GUCY1B1KCNH2
SCHEMBL14776815 0.81 GUCY1A1 (0.50) GUCY1A1GUCY1B1KCNH2
SCHEMBL2452838 0.80 GUCY1A1 (0.52) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2455829 0.79 GUCY1A1 (0.57) GUCY1A1GUCY1B1KCNH2
SCHEMBL2452848 0.78 GUCY1A1 (0.45) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2453286 0.78 GUCY1A1 (0.57) 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 11 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-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
US-8741910-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8741910-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8741910-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-20110218202-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2011-09-08 US disclosed
US-20110218202-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2011-09-08 US 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 (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-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.