SCHEMBL10123593

SCHEMBL10123593

CCCc1nnc(-c2ccccc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ADORA2A P29274 3/20 0.45
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 2/20 0.45
PDE5A O76074 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8280422 0.84 L3MBTL1 (0.52) POLBL3MBTL1NPC1RAB9AADORA2A
SCHEMBL418535 0.79 HDAC6 (0.43) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL18902840 0.78 SOAT1 (0.42) POLBL3MBTL1CYP2C9CYP2C19CYP1A2
SCHEMBL11983462 0.78 NPC1 (0.50) POLBL3MBTL1NPC1RAB9AKDM4E
SCHEMBL18902777 0.77 MAOA (0.46) POLBL3MBTL1NPC1RAB9AMAPT
SCHEMBL384952 0.76 NPC1 (0.61) POLBL3MBTL1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL28952654 0.76 NPC1 (0.48) POLBL3MBTL1NPC1RAB9AKDM4E
SCHEMBL20163117 0.76 NPC1 (0.48) POLBL3MBTL1NPC1RAB9AKDM4E
SCHEMBL24317555 0.74 NPC1 (0.59) POLBL3MBTL1NPC1RAB9AKDM4E
SCHEMBL11983371 0.73 POLB (0.49) POLBL3MBTL1NPC1RAB9AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321091-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-03-01 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-20230321091-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES IL6, MUSK, SMN1; SMN2 POLB 1354/4885L3MBTL1 3930/4885NPC1 4135/4885
US-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 POLB 1135/4885L3MBTL1 4385/4885NPC1 1838/4885

“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.