SCHEMBL2025115

SCHEMBL2025115

CNc1nnc2c(Nc3ccc(F)cc3)nccn12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
DHODH Q02127 1/20 0.40
MAPT P10636 2/20 0.39
GRM4 Q14833 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KCNN3 Q9UGI6 1/20 0.38
ZAP70 P43403 1/20 0.37
KARS1 Q15046 1/20 0.37
GRIA1 P42261 1/20 0.37
AURKA O14965 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
RAB9A P51151 1/20 0.36
MAPK10 P53779 1/20 0.36
EGFR P00533 1/20 0.35
TNKS O95271 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL12574976 0.87 IKBKB (0.41) MAPTPOLBAURKAADORA3RAB9A
SCHEMBL12574974 0.86 FLT1 (0.41) DHODHKMT2AMEN1POLBAURKA
SCHEMBL12575016 0.86 CCNE2 (0.42) MAPTKMT2AMEN1AURKAADORA3
SCHEMBL12575009 0.85 TTK (0.41) DHODHMAPTGRM4KMT2AMEN1
SCHEMBL12574991 0.83 FYN (0.39) MAPTKMT2AMEN1AURKAADORA3
SCHEMBL12637344 0.83 RAB9A (0.51) MAPTKMT2AMEN1ZAP70KARS1
SCHEMBL12575014 0.83 KDR (0.42) DHODHAURKAADORA3
SCHEMBL12638236 0.82 DHODH (0.40) DHODHMAPTGRM4KMT2AMEN1
SCHEMBL12575015 0.82 ADORA3 (0.34) AURKAADORA3RAB9A
SCHEMBL12637304 0.82 PTK2 (0.44) DHODHPOLBRAB9AEGFRTNKS

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 6 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
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 HTR2C 276/4885DHODH 837/4885MAPT 2493/4885

“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.