SCHEMBL2019904

SCHEMBL2019904

COc1ccc(OC)c(Nc2nccn3c(N)nnc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 3/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.46
BRAF P15056 1/20 0.46
MAP3K5 Q99683 1/20 0.46
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
ZAP70 P43403 1/20 0.42
SYK P43405 1/20 0.42
KARS1 Q15046 1/20 0.42
DHFR P00374 1/20 0.42

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
SCHEMBL12476888 0.91 ALDH1A1 (0.44) MAPTKDM4EGAAKMT2ALMNA
SCHEMBL12638456 0.88 ZAP70 (0.42) MAPTKDM4EKMT2ATP53ZAP70
SCHEMBL12476782 0.88 KMT2A (0.44) MAPTKMT2ALMNAMEN1TP53
SCHEMBL12639575 0.87 ZAP70 (0.43) MAPTKDM4EGAAKMT2ALMNA
SCHEMBL12482083 0.87 SRC (0.45) MAPTKDM4EZAP70SYKKARS1
SCHEMBL12476108 0.87 KMT2A (0.48) GAAKMT2ALMNAMEN1MAPK1
SCHEMBL12638531 0.86 MAPT (0.48) MAPTKDM4EGAAKMT2ALMNA
SCHEMBL2026084 0.85 MAPT (0.47) MAPTKDM4EGAAKMT2ALMNA
SCHEMBL12637791 0.85 ZAP70 (0.43) MAPTLMNATP53MAPK1HTT
SCHEMBL2024279 0.83 MAPT (0.52) MAPTKDM4EGAAKMT2ALMNA

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 5 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
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
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 MAPT 2493/4885KDM4E 3014/4885GAA 2548/4885

“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.