SCHEMBL2484558

SCHEMBL2484558

CC(C)CCc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)C)c2ccccn12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 15/20 0.39
GUCY1B1 Q02153 15/20 0.39
KCNH2 Q12809 7/20 0.39
TLR7 Q9NYK1 1/20 0.36
PDE5A O76074 3/20 0.35
CYP2C9 P11712 1/20 0.34

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
SCHEMBL2452828 0.88 PDE5A (0.43) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL2451974 0.87 GUCY1A1 (0.45) GUCY1A1GUCY1B1KCNH2TLR7PDE5A
SCHEMBL2453980 0.86 GUCY1A1 (0.45) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2454768 0.85 GUCY1A1 (0.42) GUCY1A1GUCY1B1KCNH2
SCHEMBL2454923 0.84 GUCY1A1 (0.41) GUCY1A1GUCY1B1KCNH2CYP2C9
SCHEMBL2451655 0.84 KCNH2 (0.47) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL2455835 0.84 GUCY1A1 (0.39) GUCY1A1GUCY1B1KCNH2CYP2C9
SCHEMBL12065161 0.82 GUCY1A1 (0.44) GUCY1A1GUCY1B1KCNH2
SCHEMBL2452848 0.80 GUCY1A1 (0.45) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2453501 0.80 GUCY1A1 (0.51) 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 7 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
US-20110218202-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2011-09-08 US 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
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

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.