SCHEMBL20963

SCHEMBL20963

Cn1ccc(Nc2nc3c(-c4ccccc4)nccn3n2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.40
JAK3 P52333 4/20 0.40
SYK P43405 8/20 0.39
EIF2AK4 Q9P2K8 1/20 0.39
LRRK2 Q5S007 3/20 0.38
KMT2A Q03164 2/20 0.38
IGF1R P08069 2/20 0.37
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP7 P55210 1/20 0.36
HIF1A Q16665 1/20 0.36

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 0.82 PDE10A (0.41) JAK2JAK3SYKEIF2AK4KMT2A
SCHEMBL19913 0.82 JAK2 (0.50) JAK2JAK3SYKEIF2AK4LRRK2
SCHEMBL20920 0.80 JAK2 (0.41) JAK2JAK3SYKEIF2AK4LRRK2
SCHEMBL20010 0.78 KDR (0.52) JAK2JAK3SYKEIF2AK4PDE10A
SCHEMBL18872 0.78 PDE10A (0.39) JAK2JAK3SYKEIF2AK4KMT2A
SCHEMBL31039 0.78 MERTK (0.43) JAK2JAK3SYKEIF2AK4KMT2A
SCHEMBL20400 0.76 FLT1 (0.54) JAK2JAK3SYKEIF2AK4
SCHEMBL19983168 0.76 SYK (0.54) SYKEIF2AK4IGF1R
SCHEMBL19738 0.75 KDR (0.53) JAK2JAK3SYKKMT2AMEN1
SCHEMBL19500 0.74 AURKA (0.53) JAK2JAK3KMT2AMEN1USP2

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 JAK2 5/4885JAK3 32/4885SYK 1/4885

“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.