SCHEMBL15207079

SCHEMBL15207079

COc1cc(Nc2nc3c(-c4cncc(S(C)(=O)=O)c4)nccn3n2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.49
JAK3 P52333 14/20 0.49
PTK2 Q05397 10/20 0.49
PIK3CG P48736 5/20 0.41
PIK3CB P42338 2/20 0.41
ZAP70 P43403 1/20 0.38
KARS1 Q15046 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL30966 0.92 JAK2 (0.57) JAK2JAK3PTK2
SCHEMBL15207388 0.86 JAK2 (0.45) JAK2JAK3PTK2PIK3CGPIK3CB
SCHEMBL20987 0.84 JAK2 (0.47) JAK2JAK3PTK2PIK3CG
SCHEMBL15207613 0.84 JAK2 (0.43) JAK2JAK3PTK2PIK3CG
SCHEMBL15207245 0.84 JAK2 (0.41) JAK2JAK3PTK2ZAP70
SCHEMBL20933 0.84 JAK2 (0.48) JAK2JAK3PTK2PIK3CGPIK3CB
SCHEMBL19512 0.83 JAK2 (0.45) JAK2JAK3PTK2PIK3CGPIK3CB
SCHEMBL15207402 0.83 JAK2 (0.45) JAK2JAK3PTK2PIK3CGPIK3CB
SCHEMBL21584 0.82 FLT1 (0.44) JAK2JAK3PTK2ZAP70KARS1
SCHEMBL20859 0.82 JAK2 (0.48) JAK2JAK3PTK2ZAP70

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 5 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

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 5/4885JAK3 32/4885PTK2 367/4885

“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.