SCHEMBL8034134

SCHEMBL8034134

N#Cc1cccc(CSc2nc(N)c(C#N)c(-c3ccc(OCCO)cc3)c2C#N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.63
SLC6A3 Q01959 1/20 0.63
ADORA2B P29275 3/20 0.62
ADORA2A P29274 2/20 0.61
ADORA3 P0DMS8 1/20 0.61
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.58
HSD17B10 Q99714 2/20 0.58
USP2 O75604 1/20 0.58
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
PPARG P37231 1/20 0.54
SMAD3 P84022 1/20 0.54

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
SCHEMBL12945818 0.90 ADORA1 (0.55) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL12910812 0.89 ADORA1 (0.51) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL382292 0.88 ADORA1 (0.76) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL13914360 0.87 ADORA1 (0.67) ADORA1ADORA2BADORA2AADORA3KDM4E
SCHEMBL31378280 0.86 ADORA1 (0.77) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL13914380 0.86 ADORA1 (0.72) ADORA1ADORA2BADORA2AADORA3KDM4E
SCHEMBL245503 0.85 ADORA1 (0.72) ADORA1ADORA2B
SCHEMBL26010414 0.85 ADORA1 (0.66) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL26010416 0.85 ADORA1 (0.66) ADORA1SLC6A3ADORA2BADORA2AADORA3
SCHEMBL244063 0.84 ADORA1 (0.77) ADORA1ADORA2BADORA2AKDM4EMEN1

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-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-06 US disclosed
WO-2009080197-A1 SUBSTITUTED PYRROLO[2, 3-B] AND PYRAZOLO[3, 4-B] PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO 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 (1 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-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF PPIP5K2, TPMT, PNPO ADORA1 2110/4885SLC6A3 3269/4885ADORA2B 1374/4885

“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.