SCHEMBL20130

SCHEMBL20130

Cc1cccc(Nc2nc3c(N)ncc(C4CCCCC4N)n3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.45
MAPK1 P28482 3/20 0.45
MAPK3 P27361 2/20 0.45
KCNH2 Q12809 2/20 0.45
AURKB Q96GD4 2/20 0.45
GP6 Q9HCN6 1/20 0.45
FER P16591 6/20 0.43
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43
CDK5 Q00535 2/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
PDPK1 O15530 1/20 0.43
DAPK3 O43293 1/20 0.43
DYRK3 O43781 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
RPS6KA5 O75582 1/20 0.43
PRKD3 O94806 1/20 0.43

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
SCHEMBL15207702 0.91 SYK (0.41) SYKMAPK1MAPK3KCNH2AURKB
SCHEMBL19371 0.88 CDK4 (0.41) SYKCDK1CDK2CDK5CDC7
SCHEMBL15207925 0.86 CDK1 (0.49) CDK1LMNA
SCHEMBL21195 0.82 SYK (0.42) SYKCDK1LCK
SCHEMBL20131 0.78 HTT (0.39) SYKMAPK1MAPK3KCNH2AURKB
SCHEMBL21783 0.74 AURKA (0.43) SYKKCNH2AURKBCDK1CDK2
SCHEMBL24615 0.72 SYK (0.53) SYKMAPK1MAPK3KCNH2AURKB
SCHEMBL19883 0.71 TP53 (0.42) SYKCDK2JAK2SRCPTK2
SCHEMBL20001 0.71 TNK2 (0.41) SYKCDK2CDK5JAK2SRC
SCHEMBL19190 0.70 MAPT (0.44) JAK2PDGFRBSRCJAK3TNK2

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 SYK 1/4885MAPK1 353/4885MAPK3 836/4885

“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.