SCHEMBL21067244

SCHEMBL21067244

BrCc1cccc2ncoc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ELANE P08246 2/20 0.37
KCNA3 P22001 1/20 0.33
ACLY P53396 1/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
CHRM1 P11229 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL20354320 0.81 MTNR1A (0.50) MTNR1AMTNR1BHTR2AHTR2CELANE
SCHEMBL17361326 0.81 MTNR1A (0.49) MTNR1AMTNR1BHTR2AHTR2CELANE
SCHEMBL3819476 0.81 MTNR1A (0.49) MTNR1AMTNR1BHTR2AHTR2CELANE
SCHEMBL5541930 0.78 MTNR1A (0.54) MTNR1AMTNR1BHTR2AHTR2CELANE
SCHEMBL31561708 0.75 MTNR1A (0.62) MTNR1AMTNR1BHTR2AHTR2CCHRM1
SCHEMBL5537121 0.75 MTNR1A (0.58) MTNR1AMTNR1BHTR2AHTR2CELANE
SCHEMBL5536439 0.74 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR2CELANE
SCHEMBL1272626 0.74 MTNR1A (0.47) MTNR1AMTNR1BHTR2AHTR2CELANE
SCHEMBL1272629 0.74 MTNR1A (0.50) MTNR1AMTNR1BHTR2AHTR2CELANE
SCHEMBL15887325 0.74 MTNR1A (0.60) MTNR1AMTNR1BHTR2AHTR2CELANE

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
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
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
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 MTNR1A 310/4885MTNR1B 144/4885HTR2A 785/4885
US-20190194189-A1 1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS PDE12, PDE3B, PDE5A MTNR1A 310/4885MTNR1B 144/4885HTR2A 785/4885

“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.