SCHEMBL19458490

SCHEMBL19458490

Cc1c[nH]c(=O)c2nnc(C3CCOCC3)n12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 12/20 0.41
PDE1A P54750 11/20 0.37
PDE1C Q14123 11/20 0.37
HSD11B1 P28845 1/20 0.36
PRKDC P78527 6/20 0.36
PIK3CB P42338 5/20 0.35
ATR Q13535 5/20 0.35
ATRIP Q8WXE1 5/20 0.35
ATM Q13315 3/20 0.35
MTOR P42345 1/20 0.35
DAO P14920 1/20 0.34

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
SCHEMBL19458556 0.72 ADORA3 (0.51) PDE1BPDE1APDE1CHSD11B1DAO
Hydrochloric Acid SCHEMBL17674881 0.71 ADORA3 (0.50) PDE1BPDE1APDE1CHSD11B1DAO
SCHEMBL18203162 0.71 POLB (0.53)
SCHEMBL7911518 0.68 PDE9A (0.37) PDE1BPRKDCPIK3CBATRATRIP
SCHEMBL1721467 0.66 PDE9A (0.36)
SCHEMBL7904924 0.65 ALDH1A1 (0.39) PRKDC
SCHEMBL19458530 0.65 ADORA3 (0.49) PDE1BPDE1APDE1CHSD11B1DAO
SCHEMBL17674927 0.65 PDE1B (0.53) PDE1BPDE1APDE1CHSD11B1DAO
SCHEMBL19458491 0.65 PDE1B (0.50) PDE1BPDE1APDE1CHSD11B1
SCHEMBL1721769 0.63 PDE9A (0.35) PDE1BPDE1APDE1CPRKDCPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE1B 12/4885PDE1A 10/4885PDE1C 15/4885
US-20170298072-A1 Triazolopyrazinones as PDE1 Inhibitors PDE5A, PDE4A, PDE12 PDE1B 12/4885PDE1A 10/4885PDE1C 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.