SCHEMBL2446691

SCHEMBL2446691

Cc1cc(-c2c(N)nc(-n3nc(Cc4c(F)ccc(F)c4F)c4cc(Cl)ccc43)nc2N)ccn1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 15/20 0.61
GUCY1B1 Q02153 15/20 0.61
KCNH2 Q12809 11/20 0.60
PDE5A O76074 1/20 0.52
CYP2C9 P11712 1/20 0.40
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38

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
SCHEMBL2479029 0.92 GUCY1A1 (0.51) GUCY1A1GUCY1B1KCNH2PDE5AADORA2A
SCHEMBL2438767 0.91 GUCY1A1 (0.61) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL2453589 0.90 GUCY1A1 (0.56) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2448251 0.89 GUCY1A1 (0.63) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL2455410 0.89 GUCY1A1 (0.63) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL2450715 0.89 GUCY1A1 (0.61) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL14481707 0.88 GUCY1A1 (0.62) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL14481710 0.87 GUCY1A1 (0.67) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL14481485 0.86 GUCY1A1 (0.64) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL14481774 0.85 GUCY1A1 (0.63) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284301-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2016-03-15 US claimed
EP-2549875-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2015-05-13 EP 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-2549875-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2013-01-30 EP claimed
US-20130012511-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-01-10 US claimed
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
EP-2549875-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2015-05-13 EP 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-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.