SCHEMBL21067111

SCHEMBL21067111

CCCC[Sn](CCCC)(CCCC)c1ccnnc1OCCC

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 3/20 0.31
CYP19A1 P11511 1/20 0.31
MAPT P10636 2/20 0.30
TP53 P04637 1/20 0.30
KDM4E B2RXH2 2/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
HSD17B10 Q99714 2/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FAAH O00519 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL30577084 1.00 CYP3A4 (0.32) CYP3A4CYP2D6ALDH1A1CYP19A1MAPT
SCHEMBL30164698 0.89 HPGD (0.33) MAPTTP53HPGDSMN1; SMN2
SCHEMBL8515591 0.89 HPGD (0.33) MAPTTP53HPGDSMN1; SMN2
SCHEMBL29878039 0.84
SCHEMBL2655737 0.84
SCHEMBL14120504 0.69 APLNR (0.37) CYP3A4CYP2D6ALDH1A1CYP19A1MAPT
SCHEMBL5796064 0.68
SCHEMBL6729838 0.66 KDM4E (0.31) ALDH1A1KDM4EHPGD
SCHEMBL23063893 0.66
SCHEMBL28275 0.65 LOXL2 (0.32)

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 5 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
CN-111556871-A 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors H.隆德贝克有限公司 2020-08-18 CN 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 CYP3A4 573/4885CYP2D6 735/4885ALDH1A1 90/4885
US-20190194189-A1 1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS PDE12, PDE3B, PDE5A CYP3A4 573/4885CYP2D6 735/4885ALDH1A1 90/4885

“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.