SCHEMBL2019924

SCHEMBL2019924

CC(C)(C)c1ccc(Nc2nccn3c(N)nnc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FLT1 P17948 1/20 0.39
BRD4 O60885 1/20 0.36
DHODH Q02127 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
SYK P43405 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
BTK Q06187 1/20 0.35
ZAP70 P43403 1/20 0.34
KARS1 Q15046 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
PI4KA P42356 1/20 0.34

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
SCHEMBL12575110 0.85 BRD4 (0.48) KDRPDGFRBKITFLT1BRD4
SCHEMBL2025916 0.85 MAPT (0.43) KDRBRD4SYKZAP70KARS1
SCHEMBL12575014 0.84 KDR (0.42) KDRPDGFRBKITFLT1BRD4
SCHEMBL2027771 0.82 ADORA3 (0.41) KDRFLT1
SCHEMBL2023859 0.82 MEN1 (0.40) KDRFLT1DHODHMEN1KMT2A
SCHEMBL12476722 0.82 MAPT (0.42) DHODHSYKZAP70KARS1MAPT
SCHEMBL2020560 0.82 CCNE2 (0.40) SYKZAP70KARS1MAPTMEN1
SCHEMBL2024279 0.81 MAPT (0.52) SYKZAP70KARS1MAPTMEN1
SCHEMBL2022423 0.81 SMN1; SMN2 (0.45) KDRTRPV1MAPTMEN1KMT2A
SCHEMBL12476987 0.81 EGFR (0.41) MAPTMEN1KMT2AALDH1A1CYP1A2

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 KDR 3083/4885PDGFRB 916/4885KIT 338/4885

“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.