SCHEMBL20128

SCHEMBL20128

COc1ccc(Nc2nc3c(-c4cncs4)nccn3n2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.44
FLT3 P36888 2/20 0.44
AURKA O14965 1/20 0.44
KIT P10721 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
SYK P43405 10/20 0.44
CD63 P08962 1/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
PTK2 Q05397 2/20 0.39
JAK3 P52333 2/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL21901 0.92 MAPT (0.43) JAK2FLT3TP53GAAMAPT
SCHEMBL19957 0.87 JAK2 (0.47) JAK2AURKAGAAMAPTPTK2
SCHEMBL15207792 0.85 SRC (0.40) JAK2SYKPIK3CDPIK3CAPIK3CG
SCHEMBL15208269 0.83 TP53 (0.46) JAK2FLT3AURKAKITIRAK4
SCHEMBL15206594 0.82 SYK (0.59) JAK2FLT3AURKAKITIRAK4
SCHEMBL21816 0.82 CHEK1 (0.49) JAK2FLT3AURKAKITIRAK4
SCHEMBL19949 0.81 CD38 (0.40) JAK2AURKASYKTP53GAA
SCHEMBL20134 0.81 SYK (0.36) JAK2SYKMAPTPIK3CDPIK3CA
SCHEMBL19253 0.81 SYK (0.41) JAK2SYKMAPTPTK2JAK3
SCHEMBL15207801 0.81 JAK2 (0.48) JAK2FLT3AURKAKITIRAK4

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 9 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-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
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 JAK2 5/4885FLT3 16/4885AURKA 1170/4885

“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.