SCHEMBL19495

SCHEMBL19495

COc1ccc(Nc2nc3c(-c4ccc(N)nc4)nccn3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.49
JAK3 P52333 9/20 0.49
PTK2 Q05397 6/20 0.49
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
CD63 P08962 1/20 0.43
SYK P43405 1/20 0.43
AURKA O14965 2/20 0.42
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41

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
SCHEMBL15207893 0.91 SYK (0.43) JAK2JAK3PTK2CD63SYK
SCHEMBL19998 0.90 MAPT (0.43) JAK2JAK3PTK2MAPTKDM4E
SCHEMBL21119 0.88 JAK2 (0.52) JAK2JAK3PTK2ALDH1A1GAA
SCHEMBL19931 0.88 JAK2 (0.50) JAK2JAK3PTK2ALDH1A1GAA
SCHEMBL20993 0.87 ROCK1 (0.42) JAK2JAK3PTK2CD63SYK
SCHEMBL15206594 0.87 SYK (0.59) JAK2GAAMAPTCD63SYK
SCHEMBL15207847 0.87 KCNH2 (0.47) JAK2JAK3PTK2
SCHEMBL20159 0.86 SCN9A (0.42) JAK2JAK3PTK2ALDH1A1GAA
SCHEMBL15206787 0.86 JAK2 (0.48) JAK2JAK3PTK2ALDH1A1GAA
SCHEMBL15208007 0.86 JAK2 (0.48) JAK2JAK3PTK2ALDH1A1GAA

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.