SCHEMBL9963156

SCHEMBL9963156

Cc1nc2c(s1)CCN(C(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PDE10A Q9Y233 1/20 0.34
USP2 O75604 2/20 0.33
ATM Q13315 1/20 0.33
GRM5 P41594 2/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
DPP4 P27487 1/20 0.32
CHRNA7 P36544 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
APEX1 P27695 2/20 0.31

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
SCHEMBL13494250 0.86 PDE10A (0.42) ADORA2AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8217049 0.84 PDE10A (0.33) ADORA2AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21146013 0.81 RAD52 (0.46) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL8277491 0.77 HRH3 (0.48) ADORA2AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14496899 0.76 F10 (0.39) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5548358 0.75 F10 (0.38) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL16182191 0.75 PDE10A (0.35) ADORA2APDE10AGRM5DPP4HRH3
Lithium Ion SCHEMBL5548353 0.74 F10 (0.36) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL23475155 0.73 OGA (0.50) MEN1KMT2AKDM4EALDH1A1USP2
SCHEMBL16219073 0.73 GRM5 (0.42) MAPTGRM5DPP4NPC1RAB9A

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
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 WO disclosed
US-20170291902-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-12 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 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-20170291902-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 ADORA2A 864/4885MEN1 3230/4885KMT2A 2303/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ADORA2A 239/4885MEN1 4791/4885KMT2A 4265/4885

“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.