SCHEMBL21067211

SCHEMBL21067211

c1cnc(CNc2ccnc3cn[nH]c23)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.39
▸ VNN1 O95497 3/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ TGFBR1 P36897 5/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C8 P10632 2/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ ADORA2B P29275 3/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ADRA1D P25100 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ ADRA1B P35368 2/20 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
SCHEMBL22734376 0.83 IDO1 (0.52) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL21067231 0.82 KCNH3 (0.39) HDAC6TGFBR1CYP3A4CYP2C8IDO1
SCHEMBL21061229 0.80 SYK (0.46) HDAC3HDAC1HDAC2HDAC6TGFBR1
SCHEMBL21067190 0.80 TGFBR1 (0.41) HDAC6TGFBR1PDE3BPDE3ACYP3A4
SCHEMBL22734380 0.80 CYP2C19 (0.53) HDAC3HDAC1HDAC2HDAC6CYP3A4
SCHEMBL21067168 0.78 TGFBR1 (0.40) HDAC6TGFBR1CYP3A4CYP2C8IDO1
SCHEMBL21067139 0.78 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8IDO1TDO2
SCHEMBL21067266 0.76 TGFBR1 (0.39) HDAC1HDAC6TGFBR1CYP3A4CYP2C8
SCHEMBL21877799 0.76 OGA (0.41) TGFBR1CYP3A4CYP2C8
SCHEMBL21067260 0.76 NLRP3 (0.40) TGFBR1CYP3A4CYP2C8IDO1TDO2

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-11851425-B2 Combination treatments comprising administration of 1H-pyrazolo[4,3-B]pyridines H. LUNDBECK A/S (DK) 2023-12-26 — — US disclosed
US-20200385372-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES H. LUNDBECK A/S (DK) 2020-12-10 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 MAP4K4 770/4885VNN1 2995/4885HDAC3 512/4885
US-20200385372-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES PDE3B, PDE1B, PDE12 MAP4K4 884/4885VNN1 1902/4885HDAC3 1642/4885
US-11851425-B2 Combination treatments comprising administration of 1H-pyrazolo[4,3-B]pyridines PDE3B, PDE1B, PDE12 MAP4K4 884/4885VNN1 1902/4885HDAC3 1642/4885
US-20190194189-A1 1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS PDE12, PDE3B, PDE5A MAP4K4 770/4885VNN1 2995/4885HDAC3 512/4885

“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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