SCHEMBL20183

SCHEMBL20183

NCc1cccc(-c2nccn3nc(Nc4ccc5c(c4)CC(=O)N5)nc23)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.44
SYK P43405 2/20 0.43
EIF2AK4 Q9P2K8 1/20 0.43
PTK2 Q05397 9/20 0.42
PTK2B Q14289 8/20 0.42
JAK3 P52333 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ULK1 O75385 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
KIF11 P52732 1/20 0.38
NEK2 P51955 1/20 0.38
KDR P35968 1/20 0.38
GRIA1 P42261 1/20 0.38

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
SCHEMBL21129 0.88 SYK (0.47) BCL6SYKEIF2AK4PTK2PTK2B
SCHEMBL19115 0.87 KDR (0.49) BCL6SYKEIF2AK4PTK2PTK2B
SCHEMBL19454 0.86 SYK (0.44) SYKEIF2AK4PTK2PTK2BJAK3
SCHEMBL21346 0.85 CYP1A2 (0.51) BCL6SYKEIF2AK4PTK2PTK2B
SCHEMBL20534 0.84 SYK (0.45) SYKEIF2AK4PTK2PTK2BJAK3
SCHEMBL21865 0.83 GRIA1 (0.44) SYKEIF2AK4PTK2PTK2BTBK1
SCHEMBL21223 0.82 SYK (0.43) BCL6SYKEIF2AK4PTK2PTK2B
SCHEMBL15207989 0.81 PLK1 (0.46) SYKEIF2AK4PTK2BJAK3IRAK4
SCHEMBL19658 0.81 SYK (0.46) BCL6SYKEIF2AK4PTK2PTK2B
SCHEMBL20041 0.80 SYK (0.64) BCL6SYKEIF2AK4PTK2PTK2B

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 BCL6 1114/4885SYK 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.