SCHEMBL21067154

SCHEMBL21067154

COC(OC)OCc1cccn2cnnc12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 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
SCHEMBL6468439 0.75 TP53 (0.40) PDE1APDE1BPDE1C
SCHEMBL177192 0.72 PDE1A (0.34) PDE1APDE1BPDE1C
SCHEMBL21105599 0.72 NR1I2 (0.40) PDE1APDE1BPDE1C
SCHEMBL18760575 0.71 RIPK1 (0.33) PDE1APDE1BPDE1C
Hydrochloric Acid SCHEMBL21067209 0.70 NR1I2 (0.39) PDE1APDE1BPDE1C
SCHEMBL4866590 0.69 DHFR (0.44)
SCHEMBL24377377 0.69 TLR7 (0.34)
SCHEMBL25384563 0.68 KDM4E (0.40)
SCHEMBL2789584 0.67 KDM4E (0.34)
SCHEMBL6269053 0.65 NR1I2 (0.40) PDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111556871-B 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors H.隆德贝克有限公司 2023-07-07 CN disclosed
EP-3728249-A1 1H -PYRAZOLO[4,3-b ]PYRIDINES AS PDE1 INHIBITORS H. Lundbeck A/S (DK) 2020-10-28 EP disclosed
US-10766893-B2 1H-pyrazolo[4,3-b]pyridines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2020-09-08 US disclosed
US-10766893-B2 1H-pyrazolo[4,3-b]pyridines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2020-09-08 US disclosed
US-20190194189-A1 1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2019-06-27 US disclosed
US-20190194189-A1 1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2019-06-27 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-10766893-B2 1H-pyrazolo[4,3-b]pyridines as PDE1 inhibitors PDE12, PDE3B, PDE5A PDE1A 10/4885PDE1B 8/4885PDE1C 19/4885
US-20190194189-A1 1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS PDE12, PDE3B, PDE5A PDE1A 10/4885PDE1B 8/4885PDE1C 19/4885

“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.