SCHEMBL31039

SCHEMBL31039

Cc1cc(Nc2nc3c(-c4ccccc4)nccn3n2)nn1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.43
SYK P43405 12/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
PDE10A Q9Y233 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
JAK2 O60674 3/20 0.36
JAK3 P52333 2/20 0.36
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 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
SCHEMBL20524 0.86 PDE10A (0.41) SYKEIF2AK4PDE10AJAK2JAK3
SCHEMBL20010 0.78 KDR (0.52) SYKEIF2AK4PDE10AJAK2JAK3
SCHEMBL20963 0.78 JAK2 (0.40) SYKEIF2AK4PDE10AJAK2JAK3
SCHEMBL19913 0.76 JAK2 (0.50) MERTKSYKEIF2AK4JAK2JAK3
SCHEMBL20400 0.76 FLT1 (0.54) SYKEIF2AK4JAK2JAK3GAA
SCHEMBL18872 0.75 PDE10A (0.39) SYKEIF2AK4PDE10AJAK2JAK3
SCHEMBL19738 0.73 KDR (0.53) SYKJAK2JAK3MEN1KMT2A
SCHEMBL20920 0.72 JAK2 (0.41) SYKEIF2AK4JAK2JAK3
SCHEMBL21175 0.71 FLT3 (0.51) SYKJAK2JAK3MEN1KMT2A
SCHEMBL21403 0.71 SYK (0.42) MERTKSYKEIF2AK4PDE10AJAK2

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 9 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-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
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 MERTK 49/4885SYK 1/4885EIF2AK4 1898/4885

“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.