SCHEMBL13363593

SCHEMBL13363593

Cn1cnc2c(Nc3ccc(N=O)cc3)nc(NN)nc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.45
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
KCNN3 Q9UGI6 2/20 0.43
KCNN2 Q9H2S1 1/20 0.43
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 2/20 0.40
PDGFRA P16234 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
SCHEMBL183493 0.84 KCNN3 (0.58) PDE5AADORA3ADORA2AADORA1KCNN3
SCHEMBL183290 0.84 CCNE2 (0.59) PDE5AADORA3ADORA2AADORA1KCNN3
SCHEMBL183297 0.84 KCNN3 (0.58) PDE5AADORA3ADORA2AADORA1KCNN3
SCHEMBL183147 0.84 ADORA3 (0.59) PDE5AADORA3ADORA2AADORA1CCNE1
SCHEMBL183502 0.83 CDK2 (0.48) PDE5AADORA3ADORA2AADORA1KCNN3
SCHEMBL183403 0.81 ADORA2A (0.47) PDE5AADORA3ADORA2AADORA1KCNN3
SCHEMBL183372 0.81 CDK1 (0.46) PDE5AADORA3ADORA2AADORA1KCNN3
SCHEMBL183270 0.81 BCDIN3D (0.46) PDE5AADORA3ADORA2AADORA1KCNN3
SCHEMBL19498626 0.81 KCNN3 (0.45) PDE5AADORA3ADORA2AADORA1KCNN3
SCHEMBL183054 0.79 KCNN3 (0.45) PDE5AADORA3ADORA2AADORA1KCNN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-13 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-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 PDE5A 1041/4885ADORA3 319/4885ADORA2A 295/4885

“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.