SCHEMBL12575014

SCHEMBL12575014

CNc1nnc2c(Nc3ccc(C(C)(C)C)cc3)nccn12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.42
FLT1 P17948 2/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
BRD4 O60885 1/20 0.36
DHODH Q02127 1/20 0.36
SYK P43405 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
BTK Q06187 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
TRPV1 Q8NER1 3/20 0.34
AURKA O14965 1/20 0.33
FYN P06241 1/20 0.33
PTGIR P43119 1/20 0.33

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) KDRFLT1PDGFRBKITBRD4
SCHEMBL12638344 0.85 KDR (0.37) KDRFLT1PDGFRBKITBRD4
SCHEMBL12574976 0.85 IKBKB (0.41) KDRBRD4ADORA3AURKA
SCHEMBL2019924 0.84 KDR (0.39) KDRFLT1PDGFRBKITBRD4
SCHEMBL12637745 0.84 SYK (0.42) KDRFLT1BRD4DHODHSYK
SCHEMBL12574974 0.83 FLT1 (0.41) KDRFLT1PDGFRBKITDHODH
SCHEMBL2025115 0.83 HTR2C (0.41) DHODHADORA3AURKA
SCHEMBL12575016 0.83 CCNE2 (0.42) KDRADORA3AURKA
SCHEMBL12575009 0.83 TTK (0.41) KDRFLT1PDGFRBBRD4DHODH
SCHEMBL12574986 0.82 ADORA3 (0.41) KDRFLT1ADORA3

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 2 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-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 3083/4885FLT1 2335/4885PDGFRB 916/4885

“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.