SCHEMBL21554

SCHEMBL21554

Cc1cc(C)cc(Nc2nc3c(-c4ccc5[nH]ncc5c4)nccn3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.44
ROCK2 O75116 6/20 0.42
GSK3B P49841 5/20 0.42
AURKB Q96GD4 3/20 0.42
PIM1 P11309 5/20 0.42
CDC7 O00311 3/20 0.42
PRKACA P17612 3/20 0.42
CDK2 P24941 3/20 0.42
HIPK2 Q9H2X6 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
DAPK3 O43293 2/20 0.42
DYRK3 O43781 2/20 0.42
PRKD3 O94806 2/20 0.42
CDK1 P06493 2/20 0.42
RPS6KB1 P23443 2/20 0.42
CSNK1D P48730 2/20 0.42
CLK2 P49760 2/20 0.42
GSK3A P49840 2/20 0.42
CSNK2A1 P68400 2/20 0.42
CSNK1G2 P78368 2/20 0.42

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
SCHEMBL21318 0.87 SYK (0.47) SYKROCK2GSK3BAURKBPIM1
SCHEMBL20465 0.84 KDR (0.43) SYKCDK2EIF2AK4SRCKDR
SCHEMBL15207438 0.83 JAK2 (0.47) SYKAURKBCDK2EIF2AK4SRC
SCHEMBL30612 0.82 ROCK2 (0.47) SYKROCK2GSK3BAURKBPIM1
SCHEMBL20422 0.81 PIK3CA (0.40) ROCK2AURKBRPS6KB1ROCK1SGK2
SCHEMBL20280 0.81 GAA (0.42) SYKCDK2EIF2AK4SRCKDR
SCHEMBL20010 0.80 KDR (0.52) SYKEIF2AK4KDR
SCHEMBL20253 0.80 KDR (0.54) SYKMAPK1EIF2AK4ABL1KDR
SCHEMBL15207013 0.79 BRD4 (0.47) CLK4MAPK1
SCHEMBL21230 0.78 KDR (0.43) SYKEIF2AK4KDR

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 7 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-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 SYK 1/4885ROCK2 127/4885GSK3B 712/4885

“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.