SCHEMBL20114

SCHEMBL20114

c1ccc(-c2ccccc2-c2nccn3nc(Nc4ccc(N5CCOCC5)cc4)nc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.66
JAK3 P52333 11/20 0.66
PTK2 Q05397 9/20 0.66
PLK4 O00444 3/20 0.50
STAT6 P42226 1/20 0.50
AURKA O14965 1/20 0.48
INSR P06213 1/20 0.48
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48
JUN P05412 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47

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
SCHEMBL15221201 0.91 JAK2 (0.60) JAK2JAK3PTK2
SCHEMBL19433 0.86 JAK2 (0.61) JAK2JAK3PTK2PLK4STAT6
SCHEMBL20504 0.85 JAK2 (0.74) JAK2JAK3PTK2AURKAMAPK8
SCHEMBL21597 0.85 JAK2 (0.59) JAK2JAK3PTK2AURKAMAPK8
SCHEMBL20394 0.83 JAK3 (0.57) JAK2JAK3PTK2PLK4STAT6
SCHEMBL15216767 0.82 IGF1R (0.57) JAK2JAK3PTK2PLK4STAT6
SCHEMBL20369 0.82 JAK2 (0.56) JAK2JAK3PTK2AURKAMAPK8
SCHEMBL24372 0.82 JAK2 (0.55) JAK2JAK3PTK2
SCHEMBL20626 0.81 JAK2 (0.59) JAK2JAK3PTK2
SCHEMBL25496 0.81 JAK2 (0.54) JAK2JAK3PTK2PLK4STAT6

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 5/4885JAK3 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.