SCHEMBL12482181

SCHEMBL12482181

COc1ccc(CNc2nccn3c(N)nnc23)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
POLB P06746 2/20 0.45
PDE5A O76074 1/20 0.44
TNF P01375 1/20 0.44
NOD1 Q9Y239 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
HTT P42858 1/20 0.43
STAT1 P42224 1/20 0.43
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ZAP70 P43403 1/20 0.41

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
SCHEMBL12476793 0.89 MAPT (0.52) APPRXFP1POLBHTTKDM4E
SCHEMBL12637842 0.86 BCHE (0.46) APPRXFP1POLBPDE5ATNF
SCHEMBL2025860 0.85 ZAP70 (0.50) APPADORA3TDP1ZAP70KARS1
SCHEMBL12637308 0.83 RXFP1 (0.45) APPRXFP1POLBPDE5ATNF
SCHEMBL12574847 0.82 ADORA3 (0.43) ADORA3
SCHEMBL12639635 0.82 ACHE (0.46) APPRXFP1POLBADORA3GAA
SCHEMBL2025922 0.81 ADORA3 (0.43) ADORA3
SCHEMBL2024237 0.81 MAPT (0.44) APPRXFP1ADORA3HTTKDM4E
SCHEMBL2021944 0.81 ZAP70 (0.51) POLBTNFNOD1HTTKDM4E
SCHEMBL2018671 0.80 ADORA3 (0.48) ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329705-B2 Substituted triazolo-pyrazine compounds ARQULE, INC. (US) 2012-12-11 US disclosed
WO-2011082267-A2 SUBSTITUTED TRIAZOLO-PYRAZINE COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
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 APP 3566/4885RXFP1 4541/4885POLB 1650/4885

“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.