SCHEMBL12298802

SCHEMBL12298802

Nc1nc(-c2nn(Cc3ccccc3F)c3c2CCCC3)nc(N)c1NC(=O)OCCCl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.45
▸ BUB1 O43683 3/20 0.45
▸ ADORA3 P0DMS8 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ GUCY1A1 Q02108 11/20 0.37
▸ GUCY1B1 Q02153 11/20 0.37
▸ RORC P51449 1/20 0.35

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
SCHEMBL12299623 0.89 PDE5A (0.50) PDE5ABUB1ADORA3KCNH2GUCY1A1
SCHEMBL12298808 0.87 PDE5A (0.52) PDE5ABUB1ADORA3KCNH2GUCY1A1
SCHEMBL28503512 0.84 ADORA3 (0.47) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL29379281 0.84 ADORA3 (0.47) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL255841 0.82 ADORA3 (0.63) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL12299208 0.79 PDE5A (0.55) PDE5ABUB1ADORA3KCNH2GUCY1A1
SCHEMBL10064748 0.78 ADORA3 (0.62) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL12299204 0.77 KCNH2 (0.68) PDE5ABUB1ADORA3KCNH2GUCY1A1
SCHEMBL12298814 0.77 PDE5A (0.57) PDE5ABUB1ADORA3KCNH2GUCY1A1
SCHEMBL12298800 0.76 KCNH2 (0.55) PDE5ABUB1ADORA3KCNH2GUCY1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130178475-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2013-07-11 — — US disclosed
US-20130178475-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2013-07-11 — — US disclosed
WO-2011115804-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2011-09-22 — — WO 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-20130178475-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 PDE5A 18/4885BUB1 4730/4885ADORA3 2877/4885

“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.

Send feedback