SCHEMBL22264

SCHEMBL22264

Cc1cc(C)cc(Nc2nc3c(N)ncc(CCCN(C)C)n3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.38
NOS3 P29474 6/20 0.38
NOS2 P35228 4/20 0.38
SYK P43405 5/20 0.38
FLT3 P36888 2/20 0.38
TNK2 Q07912 2/20 0.36
KDR P35968 3/20 0.33
KIT P10721 2/20 0.32
PDGFRA P16234 2/20 0.32
SRC P12931 2/20 0.32
ZAP70 P43403 2/20 0.32
TYK2 P29597 1/20 0.31
CDK2 P24941 1/20 0.31
PLK1 P53350 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL20001 0.90 TNK2 (0.41) SYKTNK2SRCZAP70CDK2
SCHEMBL19497 0.86 TNK2 (0.46) TNK2SRCCDK2PLK1
SCHEMBL15207753 0.85 SYK (0.36) SYKFLT3KDRSRCZAP70
SCHEMBL19614 0.81 IDH2 (0.46) SYKCDK2
SCHEMBL19883 0.76 TP53 (0.42) SYKSRCZAP70CDK2
SCHEMBL21783 0.75 AURKA (0.43) SYKSRCZAP70CDK2
SCHEMBL22265 0.75 NOS1 (0.44) NOS1NOS3NOS2SYKFLT3
SCHEMBL19190 0.73 MAPT (0.44) NOS1NOS3NOS2TNK2SRC
SCHEMBL20305 0.72 ZAP70 (0.38) SYKSRCZAP70CDK2PLK1
SCHEMBL20643 0.71 KCNH3 (0.46) PLK1

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 6 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
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-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 NOS1 180/4885NOS3 269/4885NOS2 182/4885

“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.