SCHEMBL19458556

SCHEMBL19458556

O=c1[nH]ccn2c(C3CCOCC3)nnc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.51
PDE1B Q01064 10/20 0.44
PDE1C Q14123 10/20 0.44
PDE1A P54750 9/20 0.44
HSD11B1 P28845 2/20 0.42
DAO P14920 1/20 0.36
BRD4 O60885 4/20 0.34
MAPK13 O15264 1/20 0.33

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
Hydrochloric Acid SCHEMBL17674881 0.99 ADORA3 (0.50) ADORA3PDE1BPDE1CPDE1AHSD11B1
SCHEMBL19458530 0.92 ADORA3 (0.49) ADORA3PDE1BPDE1CPDE1AHSD11B1
SCHEMBL18185696 0.76 PDE1B (0.54) PDE1BPDE1CPDE1A
SCHEMBL19458491 0.75 PDE1B (0.50) PDE1BPDE1CPDE1AHSD11B1MAPK13
SCHEMBL17674927 0.75 PDE1B (0.53) PDE1BPDE1CPDE1AHSD11B1DAO
SCHEMBL21356663 0.74 PDE1B (0.41) PDE1BPDE1CPDE1ADAOBRD4
SCHEMBL19458490 0.72 PDE1B (0.41) PDE1BPDE1CPDE1AHSD11B1DAO
SCHEMBL17675029 0.69 PDE1C (0.65) PDE1BPDE1CPDE1AHSD11B1BRD4
SCHEMBL17674992 0.69 PDE1C (0.66) PDE1BPDE1CPDE1AHSD11B1
SCHEMBL17674981 0.69 PDE1C (0.66) PDE1BPDE1CPDE1AHSD11B1

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
EP-3204387-B1 TRIAZOLOPYRAZINONES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2019-06-12 EP disclosed
US-10150771-B2 Triazolopyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2018-12-11 US disclosed
US-20170298072-A1 Triazolopyrazinones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-10-19 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 (2 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-10150771-B2 Triazolopyrazinones as PDE1 inhibitors PDE5A, PDE4A, PDE12 ADORA3 1325/4885PDE1B 12/4885PDE1C 15/4885
US-20170298072-A1 Triazolopyrazinones as PDE1 Inhibitors PDE5A, PDE4A, PDE12 ADORA3 1325/4885PDE1B 12/4885PDE1C 15/4885

“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.