SCHEMBL22574641

SCHEMBL22574641

CCn1ncc2nc(Br)cc(NC3CCOC3)c21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 20/20 0.60
▸ PDE1C Q14123 15/20 0.60
▸ PDE1A P54750 13/20 0.60

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
SCHEMBL22574833 0.91 PDE1B (0.61) PDE1BPDE1CPDE1A
SCHEMBL30087531 0.82 PDE1B (0.70) PDE1BPDE1CPDE1A
SCHEMBL22574765 0.82 PDE1B (0.70) PDE1BPDE1CPDE1A
SCHEMBL22574783 0.82 PDE1B (0.70) PDE1BPDE1CPDE1A
SCHEMBL22574831 0.76 PDE1B (0.62) PDE1BPDE1CPDE1A
SCHEMBL30672618 0.76 PDE1B (0.62) PDE1BPDE1CPDE1A
SCHEMBL22574778 0.76 PDE1B (0.62) PDE1BPDE1CPDE1A
SCHEMBL22574779 0.76 PDE1B (0.62) PDE1BPDE1CPDE1A
SCHEMBL30672635 0.76 PDE1B (0.62) PDE1BPDE1CPDE1A
SCHEMBL22878518 0.76 PDE1B (1.00) PDE1BPDE1CPDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535611-B2 Pyrazolo[3,4-B]pyridines and imidazo[1,5-B]pyridazines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2022-12-27 — — US disclosed
US-20210009571-A1 PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2021-01-14 — — US disclosed
EP-3728250-A1 PYRAZOLO[3,4-beta]PYRIDINES AND IMIDAZO[1,5-beta]PYRIDAZINES AS PDE1 INHIBITORS H. Lundbeck A/S (DK) 2020-10-28 — — EP disclosed
CN-111511742-A Pyrazolo [3,4-b ] pyridines and imidazo [1,5-b ] pyridazines as PDE1 inhibitors H.隆德贝克有限公司 2020-08-07 — — CN 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-20210009571-A1 PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS PDE5A, PDE12, PDE3A PDE1B 8/4885PDE1C 17/4885PDE1A 11/4885
US-11535611-B2 Pyrazolo[3,4-B]pyridines and imidazo[1,5-B]pyridazines as PDE1 inhibitors PDE5A, PDE12, PDE3A PDE1B 8/4885PDE1C 17/4885PDE1A 11/4885

“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.

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