SCHEMBL19105

SCHEMBL19105

NC(=O)c1ccc(Nc2nc3c(-c4ccccc4)nccn3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.55
MAPK10 P53779 1/20 0.55
JAK2 O60674 10/20 0.46
AURKA O14965 5/20 0.46
AURKB Q96GD4 3/20 0.45
GSK3B P49841 2/20 0.44
PIK3CG P48736 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
ACVR1 Q04771 1/20 0.42
PARP1 P09874 1/20 0.41
JAK3 P52333 1/20 0.40
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40

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
SCHEMBL19913 0.86 JAK2 (0.50) JAK2AURKAGSK3BJAK3CDK2
SCHEMBL20765 0.83 JAK2 (0.63) JAK2JAK3
SCHEMBL20897 0.82 MKNK1 (0.48) MAPK8JAK2PIK3CGCAMKK2MKNK1
SCHEMBL20985 0.81 ZAP70 (0.48) MAPK8JAK2CAMKK2JAK3
SCHEMBL21149 0.79 SYK (0.46) PIK3CG
SCHEMBL15207989 0.78 PLK1 (0.46) JAK3IRAK4
SCHEMBL20147 0.78 JAK2 (0.55) JAK2AURKAJAK3
SCHEMBL19500 0.78 AURKA (0.53) JAK2AURKAJAK3CLK4
SCHEMBL20535 0.77 SYK (0.48) JAK2PIK3CGJAK3
SCHEMBL19659656 0.77 PARP1 (0.46) PARP1CDC7PIM1CDK2CLK4

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 MAPK8 1311/4885MAPK10 1916/4885JAK2 5/4885

“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.