SCHEMBL21067148

SCHEMBL21067148

O=Cc1cccn2cnnc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.35
TRIM24 O15164 3/20 0.32
TRIM33 Q9UPN9 3/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ERN1 O75460 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALPG P10696 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17185699 0.81 POLB (0.32) MEN1KMT2APOLBKDM4ECYP1A2
SCHEMBL19438287 0.72 POLB (0.35) MEN1KMT2APOLBKDM4ECYP1A2
SCHEMBL21067265 0.72 KDM4E (0.31) MEN1KMT2AKDM4ECYP1A2ALPG
SCHEMBL2317243 0.72 TRIM24 (0.41) MEN1KMT2ALMNATHRBBLM
SCHEMBL20689186 0.71 DHFR (0.36) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL2661787 0.71 PARP15 (0.35) MEN1KMT2ALMNABLMTDP1
SCHEMBL6468439 0.70 TP53 (0.40) MEN1KMT2APOLBALDH1A1TSHR
Hydrochloric Acid SCHEMBL21222902 0.69 POLB (0.33) MEN1KMT2APOLBKDM4ECYP1A2
SCHEMBL10030819 0.69 DHODH (0.49) LMNABLMTDP1POLBALDH1A1
SCHEMBL12474137 0.68 PARP1 (0.43) MEN1KMT2APOLBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
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 MEN1 3138/4885KMT2A 2290/4885LMNA 3701/4885
US-20190194189-A1 1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS PDE12, PDE3B, PDE5A MEN1 3138/4885KMT2A 2290/4885LMNA 3701/4885

“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.