SCHEMBL19738

SCHEMBL19738

COc1cc(Nc2nc3c(-c4ccccc4)nccn3n2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.53
FLT1 P17948 3/20 0.53
FLT4 P35916 3/20 0.53
JAK2 O60674 10/20 0.48
JAK3 P52333 6/20 0.48
CYP1A2 P05177 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
PTK2 Q05397 7/20 0.44
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
DHFR P00374 1/20 0.43
TYMS P04818 1/20 0.43

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
SCHEMBL19086 0.92 JAK2 (0.47) KDRFLT1FLT4JAK2JAK3
SCHEMBL21968 0.91 JAK2 (0.54) KDRFLT1FLT4JAK2JAK3
SCHEMBL21661 0.91 JAK2 (0.51) KDRFLT1FLT4JAK2JAK3
SCHEMBL21584 0.91 FLT1 (0.44) KDRFLT1FLT4JAK2JAK3
SCHEMBL20859 0.90 JAK2 (0.48) KDRFLT1FLT4JAK2JAK3
SCHEMBL15207207 0.90 FLT1 (0.45) KDRFLT1FLT4JAK2JAK3
SCHEMBL19799 0.89 JAK2 (0.43) KDRFLT1FLT4JAK2JAK3
SCHEMBL19847 0.88 GAA (0.48) KDRFLT1FLT4JAK2JAK3
SCHEMBL20952 0.87 IGF1R (0.53) KDRFLT1FLT4JAK2JAK3
SCHEMBL21175 0.87 FLT3 (0.51) JAK2JAK3CYP1A2MEN1KMT2A

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
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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-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
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 KDR 242/4885FLT1 47/4885FLT4 174/4885

“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.