SCHEMBL2025640

SCHEMBL2025640

Nc1nnc2c(Nc3cccc(F)c3)nccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
EGFR P00533 4/20 0.45
GRM4 Q14833 1/20 0.45
HCRTR1 O43613 1/20 0.44
BRAF P15056 1/20 0.43
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ABL1 P00519 1/20 0.41
ABL2 P42684 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
BRD4 O60885 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL12575064 0.84 BRD4 (0.54) LMNAEGFRGRM4HCRTR1BRAF
SCHEMBL2024473 0.84 MAPT (0.54) LMNAEGFRGRM4HTTKDM4E
SCHEMBL2022091 0.84 EGFR (0.49) EGFRBRAFCDK1
SCHEMBL12476722 0.83 MAPT (0.42) LMNAEGFRGRM4MAPK1MAPT
SCHEMBL12476988 0.80 TP53 (0.45) EGFRMAPK1KDM4EKMT2AMEN1
SCHEMBL2018614 0.78 MAPT (0.46) LMNAHTTKDM4EMAPTKMT2A
SCHEMBL2025916 0.75 MAPT (0.43) LMNAEGFRHTTKDM4EMAPT
SCHEMBL2020560 0.75 CCNE2 (0.40) EGFRMAPK1MKNK1KDM4EMAPT
SCHEMBL2023859 0.75 MEN1 (0.40) BRAFMKNK1KDM4EKMT2ARAB9A
SCHEMBL30754754 0.75 LMNA (0.60) LMNAEGFRGRM4BRAFMAPK1

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 LMNA 3278/4885EGFR 1409/4885GRM4 3666/4885

“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.