SCHEMBL20713

SCHEMBL20713

Cc1nc2cc(Nc3nc4c(-c5cnn(C)c5)nccn4n3)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
EIF2AK4 Q9P2K8 1/20 0.58
AXL P30530 5/20 0.42
CDK2 P24941 8/20 0.39
CCNA2 P20248 2/20 0.39
TTK P33981 2/20 0.39
CCNT1 O60563 6/20 0.37
CCNE2 O96020 6/20 0.37
CCNE1 P24864 6/20 0.37
CDK9 P50750 6/20 0.37
EPHX2 P34913 1/20 0.36
CCNB2 O95067 6/20 0.36
CDK1 P06493 6/20 0.36
CCNB1 P14635 6/20 0.36
CDK5 Q00535 6/20 0.36
CDK5R1 Q15078 6/20 0.36
CCNB3 Q8WWL7 6/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
CSNK1A1 P48729 1/20 0.35

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
SCHEMBL21403 0.85 SYK (0.42) SYKEIF2AK4CDK1KDR
SCHEMBL15221173 0.83 SYK (0.60) SYKEIF2AK4AXLCDK2CCNA2
SCHEMBL15210473 0.82 SYK (0.59) SYKEIF2AK4AXLCDK2CCNA2
SCHEMBL15207760 0.81 SYK (0.56) SYKEIF2AK4CDK2CCNA2TTK
SCHEMBL15212574 0.81 SYK (0.58) SYKEIF2AK4CDK2CCNA2TTK
SCHEMBL15210682 0.81 JAK3 (0.50) TTK
SCHEMBL19982799 0.81 SYK (0.41) SYKEIF2AK4
SCHEMBL15210918 0.80 SYK (0.53) SYKEIF2AK4AXLCDK2CCNA2
SCHEMBL15210467 0.80 SYK (0.58) SYKEIF2AK4CDK2CCNA2TTK
SCHEMBL15212567 0.80 SYK (0.58) SYKEIF2AK4AXLCDK2CCNA2

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 14 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
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 SYK 1/4885EIF2AK4 1898/4885AXL 336/4885

“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.