SCHEMBL2026084

SCHEMBL2026084

COc1ccccc1Nc1nccn2c(N)nnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
ABL1 P00519 1/20 0.45
YES1 P07947 1/20 0.45
EGFR P00533 2/20 0.44
MAPK10 P53779 1/20 0.43
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL12575056 0.86 KDM4E (0.47) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL12476782 0.85 KMT2A (0.44) MAPTMEN1KMT2AIRAK4LMNA
SCHEMBL2019904 0.85 MAPT (0.48) MAPTALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL12476888 0.85 ALDH1A1 (0.44) MAPTALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL12574853 0.85 KMT2A (0.42) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL12575008 0.85 KDM4E (0.46) MAPTALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL12476108 0.84 KMT2A (0.48) MAPK1MEN1KMT2ANPC1GAA
SCHEMBL12476568 0.83 L3MBTL1 (0.42) MAPTALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL2021944 0.81 ZAP70 (0.51) MAPTALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL2018614 0.80 MAPT (0.46) MAPTALDH1A1KDM4EMEN1KMT2A

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 7 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
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
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 2493/4885ALDH1A1 1473/4885L3MBTL1 4774/4885

“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.