SCHEMBL2450778

SCHEMBL2450778

COC(=O)N(C)c1c(N)nc(-n2nc(Cc3c(F)ccc(F)c3F)c3cc(F)ccc32)nc1N

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 18/20 0.86
GUCY1B1 Q02153 18/20 0.86
KCNH2 Q12809 12/20 0.86
PDE5A O76074 2/20 0.41

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
SCHEMBL14549781 0.92 GUCY1A1 (1.00) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14482021 0.90 GUCY1A1 (0.70) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14549794 0.90 GUCY1A1 (1.00) GUCY1A1GUCY1B1KCNH2
SCHEMBL14549833 0.89 GUCY1A1 (0.80) GUCY1A1GUCY1B1KCNH2
SCHEMBL14549834 0.87 GUCY1A1 (0.84) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL12323241 0.85 GUCY1A1 (0.73) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2442029 0.85 GUCY1A1 (0.63) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14549837 0.84 GUCY1A1 (0.76) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2520175 0.82 GUCY1A1 (0.82) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14549797 0.82 GUCY1A1 (0.81) GUCY1A1GUCY1B1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011119518-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-09-29 WO claimed
US-9284301-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2016-03-15 US disclosed
US-20130012511-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-01-10 US disclosed
US-20130012511-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-01-10 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-20130012511-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3B, PDE3A, GUCY1B1 GUCY1A1 5/4885GUCY1B1 3/4885KCNH2 666/4885

“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.