SCHEMBL20524

SCHEMBL20524

Cc1cc(Nc2nc3c(-c4ccccc4)nccn3n2)nn1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
SYK P43405 7/20 0.41
IGF1R P08069 6/20 0.40
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
EIF2AK4 Q9P2K8 1/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP3K14 Q99558 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
SCHEMBL31039 0.86 MERTK (0.43) PDE10ASYKJAK2JAK3EIF2AK4
SCHEMBL20963 0.82 JAK2 (0.40) PDE10ASYKIGF1RJAK2JAK3
SCHEMBL18872 0.82 PDE10A (0.39) PDE10ASYKJAK2JAK3EIF2AK4
SCHEMBL20010 0.80 KDR (0.52) PDE10ASYKJAK2JAK3EIF2AK4
SCHEMBL20920 0.79 JAK2 (0.41) SYKIGF1RJAK2JAK3EIF2AK4
SCHEMBL19913 0.79 JAK2 (0.50) SYKJAK2JAK3EIF2AK4GAA
SCHEMBL20400 0.78 FLT1 (0.54) SYKJAK2JAK3EIF2AK4GAA
SCHEMBL19202 0.75 PSEN1 (0.46) SYKJAK2JAK3EIF2AK4MEN1
SCHEMBL21581 0.75 PSEN1 (0.55) SYKJAK2JAK3EIF2AK4MEN1
SCHEMBL19738 0.75 KDR (0.53) SYKJAK2JAK3MEN1KMT2A

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
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP disclosed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES SYK, IRAK1, ZAP70 PDE10A 2960/4885SYK 1/4885IGF1R 101/4885

“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.