SCHEMBL21865

SCHEMBL21865

O=C1Cc2cc(Nc3nc4c(-c5ccccc5-c5ccccc5)nccn4n3)ccc2N1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 7/20 0.44
SYK P43405 1/20 0.43
EIF2AK4 Q9P2K8 1/20 0.43
KDR P35968 3/20 0.43
PLK1 P53350 3/20 0.42
PTK2 Q05397 6/20 0.42
PTK2B Q14289 5/20 0.42
INSR P06213 1/20 0.41
TBK1 Q9UHD2 1/20 0.41

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 0.93 SYK (0.47) GRIA1SYKEIF2AK4PTK2PTK2B
SCHEMBL19996 0.87 PLK1 (0.42) SYKEIF2AK4KDRPLK1PTK2
SCHEMBL19115 0.87 KDR (0.49) SYKEIF2AK4KDRPLK1PTK2
SCHEMBL21346 0.86 CYP1A2 (0.51) GRIA1SYKEIF2AK4KDRPLK1
SCHEMBL21074 0.84 PTK2 (0.42) SYKEIF2AK4KDRPLK1PTK2
SCHEMBL19658 0.84 SYK (0.46) GRIA1SYKEIF2AK4KDRPTK2
SCHEMBL19470 0.84 GRIA1 (0.46) GRIA1PLK1PTK2TBK1
SCHEMBL20183 0.83 BCL6 (0.44) GRIA1SYKEIF2AK4KDRPTK2
SCHEMBL19454 0.82 SYK (0.44) GRIA1SYKEIF2AK4KDRPLK1
SCHEMBL21223 0.82 SYK (0.43) GRIA1SYKEIF2AK4KDRPLK1

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 GRIA1 1487/4885SYK 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.