SCHEMBL24553

SCHEMBL24553

COc1ccc(Nc2nc3c(-c4ccc(C(C)(C)C#N)cc4)nccn3n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.45
PTK2 Q05397 8/20 0.45
JAK3 P52333 5/20 0.43
MTOR P42345 3/20 0.41
AXL P30530 1/20 0.39
PIK3CA P42336 2/20 0.38
BRAF P15056 1/20 0.36
SYK P43405 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
TBK1 Q9UHD2 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL21606 0.87 JAK2 (0.39) JAK2PTK2JAK3AXLSYK
SCHEMBL20897 0.80 MKNK1 (0.48) JAK2PTK2JAK3PIK3CABRAF
SCHEMBL21119 0.79 JAK2 (0.52) JAK2PTK2JAK3
SCHEMBL25160 0.79 JAK2 (0.51) JAK2PTK2JAK3AXLBRAF
SCHEMBL20556 0.78 JAK2 (0.50) JAK2PTK2JAK3SYKEIF2AK4
SCHEMBL30618 0.78 JAK2 (0.52) JAK2PTK2JAK3PIK3CASYK
SCHEMBL20276 0.77 JAK2 (0.48) JAK2PTK2JAK3PIK3CASYK
SCHEMBL22320 0.77 FYN (0.56) JAK2PTK2JAK3PIK3CASYK
SCHEMBL21450 0.77 JAK2 (0.52) JAK2PTK2JAK3PIK3CAFYN
SCHEMBL20773 0.76 JAK2 (0.53) JAK2PTK2JAK3PIK3CAPIK3CD

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 12 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
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US claimed
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP disclosed
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
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 5/4885PTK2 367/4885JAK3 32/4885

“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.