SCHEMBL25160

SCHEMBL25160

CC(C)(C#N)c1ccc(-c2nccn3nc(Nc4ccc(N5CCOCC5)cc4)nc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.51
JAK3 P52333 15/20 0.51
PTK2 Q05397 9/20 0.51
BMPR1B O00238 1/20 0.44
PLK4 O00444 1/20 0.44
CIT O14578 1/20 0.44
GAK O14976 1/20 0.44
OPA1 O60313 1/20 0.44
ROCK2 O75116 1/20 0.44
STK16 O75716 1/20 0.44
PRKD3 O94806 1/20 0.44
CSNK2A2 P19784 1/20 0.44
JAK1 P23458 1/20 0.44
CDK2 P24941 1/20 0.44
MARK3 P27448 1/20 0.44
TYK2 P29597 1/20 0.44
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44
STAT3 P40763 1/20 0.44
STAT5A P42229 1/20 0.44

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
SCHEMBL20626 0.84 JAK2 (0.59) JAK2JAK3PTK2JAK1
SCHEMBL15212865 0.81 JAK3 (0.73) JAK2JAK3PTK2JAK1
SCHEMBL16394348 0.81 JAK2 (0.63) JAK2JAK3PTK2JAK1
SCHEMBL20593 0.81 JAK2 (0.52) JAK2JAK3PTK2KDM4EGAA
SCHEMBL15210529 0.80 JAK2 (0.55) JAK2JAK3PTK2PLK4KDM4E
SCHEMBL20765 0.79 JAK2 (0.63) JAK2JAK3PTK2JAK1TYK2
SCHEMBL20513 0.79 JAK2 (0.55) JAK2JAK3PTK2MAPK10MAPT
SCHEMBL20495 0.79 TTK (0.57) JAK2JAK3PTK2JAK1TYK2
SCHEMBL20504 0.79 JAK2 (0.74) JAK2JAK3PTK2MAPK8MAPK10
SCHEMBL20373 0.79 JAK2 (0.55) JAK2JAK3PTK2PLK4KDM4E

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 10 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
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 5/4885JAK3 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.