SCHEMBL2021909

SCHEMBL2021909

COc1ccc(-c2cn3c(N)nnc3c(N)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.61
ADORA1 P30542 5/20 0.59
ADORA3 P0DMS8 2/20 0.52
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
TLR8 Q9NR97 1/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
TLR9 Q9NR96 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
ALDH1A3 P47895 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
DYRK1A Q13627 1/20 0.43
PKM P14618 2/20 0.43

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
SCHEMBL2022594 0.84 ADORA2A (0.47) ADORA2AADORA1ADORA3ALDH1A1MAPT
SCHEMBL2024778 0.84 ADORA2A (0.58) ADORA2AADORA1ADORA3ALDH1A1TLR8
SCHEMBL2027751 0.80 ADORA2A (0.59) ADORA2AADORA1ADORA3ALDH1A1MAPT
SCHEMBL2023069 0.80 APP (0.43) ADORA2AADORA1
SCHEMBL2023701 0.79 HSP90AA1 (0.51) ADORA2AADORA1ADORA3
SCHEMBL2018800 0.76 DHFR (0.46) ADORA2AADORA1ADORA3ALDH1A1MAPT
SCHEMBL2815835 0.73 ADORA2A (0.90) ADORA2AADORA1
SCHEMBL2947512 0.72 MAPT (0.62) ADORA2AADORA1ALDH1A1MAPTTLR8
SCHEMBL28186684 0.72 TLR8 (0.61) ADORA2AADORA1ALDH1A1MAPTTLR8
SCHEMBL2024812 0.72 ADORA2A (0.46) ADORA2AADORA1ADORA3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 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 (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-20110160215-A1 Substituted Triazolo-Pyrazine Compounds MKI67, TP53, THPO ADORA2A 985/4885ADORA1 2652/4885ADORA3 1835/4885

“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.