SCHEMBL22360

SCHEMBL22360

COc1cc(Nc2nc3c(N4CCN(CCN5C(=O)c6ccccc6C5=O)CC4)nccn3n2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.44
JAK2 O60674 5/20 0.43
JAK3 P52333 5/20 0.43
PTK2 Q05397 4/20 0.43
RAD52 P43351 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX12 P18054 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL20258 0.83 JAK2 (0.43) JAK2JAK3PTK2
SCHEMBL20427 0.82 JAK2 (0.42) JAK2JAK3PTK2
SCHEMBL15210458 0.81 JAK2 (0.55) JAK2JAK3PTK2
SCHEMBL24486 0.79 JAK2 (0.42) JAK2JAK3PTK2
SCHEMBL15210398 0.78 JAK2 (0.50) JAK2JAK3PTK2MEN1KMT2A
SCHEMBL20350 0.78 JAK2 (0.43) JAK2JAK3PTK2ALDH1A1MEN1
SCHEMBL15212839 0.77 JAK2 (0.59) JAK2JAK3PTK2ALDH1A1
SCHEMBL15221216 0.77 JAK2 (0.42) JAK2JAK3KDM4E
SCHEMBL15212550 0.76 ZAP70 (0.41) JAK2JAK3PTK2
SCHEMBL19160 0.76 JAK2 (0.42) JAK2JAK3PTK2

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 5 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-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 HTR1A 885/4885JAK2 5/4885JAK3 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.