SCHEMBL21346

SCHEMBL21346

O=C1Cc2cc(Nc3nc4c(-c5cccnc5)nccn4n3)ccc2N1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
BCL6 P41182 2/20 0.49
SYK P43405 1/20 0.47
EIF2AK4 Q9P2K8 1/20 0.47
PTK2 Q05397 8/20 0.47
PTK2B Q14289 6/20 0.47
GRIA1 P42261 1/20 0.43
KDR P35968 3/20 0.43
PLK1 P53350 1/20 0.42
TBK1 Q9UHD2 1/20 0.41
CYP2C9 P11712 1/20 0.41
TBXAS1 P24557 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
NEK2 P51955 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 0.92 SYK (0.47) BCL6SYKEIF2AK4PTK2PTK2B
SCHEMBL19115 0.88 KDR (0.49) BCL6SYKEIF2AK4PTK2PTK2B
SCHEMBL19658 0.87 SYK (0.46) BCL6SYKEIF2AK4PTK2PTK2B
SCHEMBL21865 0.86 GRIA1 (0.44) SYKEIF2AK4PTK2PTK2BGRIA1
SCHEMBL21223 0.86 SYK (0.43) CYP1A2CYP11B1CYP11B2BCL6SYK
SCHEMBL20041 0.86 SYK (0.64) BCL6SYKEIF2AK4PTK2PTK2B
SCHEMBL20183 0.85 BCL6 (0.44) BCL6SYKEIF2AK4PTK2PTK2B
SCHEMBL19454 0.85 SYK (0.44) SYKEIF2AK4PTK2PTK2BGRIA1
SCHEMBL20534 0.84 SYK (0.45) SYKEIF2AK4PTK2PTK2BGRIA1
SCHEMBL15207989 0.83 PLK1 (0.46) SYKEIF2AK4PTK2BGRIA1PLK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP claimed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US claimed
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO claimed
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP disclosed
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 CYP1A2 624/4885CYP11B1 3402/4885CYP11B2 3279/4885

“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.