SCHEMBL30790

SCHEMBL30790

CCOc1ccc(Nc2nc3c(-c4cncc(C#N)c4)nccn3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.39
JAK3 P52333 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SYK P43405 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
NFKB1 P19838 1/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
KDR P35968 3/20 0.38
PTK2 Q05397 3/20 0.37
PLK1 P53350 1/20 0.36
P2RX3 P56373 1/20 0.36
MAPT P10636 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL15207974 0.92 JAK2 (0.46) JAK2JAK3KDM4EALDH1A1MEN1
SCHEMBL15207419 0.87 ABL1 (0.45) JAK2JAK3SYKEIF2AK4
SCHEMBL15207931 0.87 SYK (0.37) JAK2JAK3SYKMEN1KMT2A
SCHEMBL15207273 0.87 AURKA (0.40) JAK2JAK3ALDH1A1SYKMEN1
SCHEMBL15207233 0.86 JAK2 (0.38) JAK2JAK3SYKEIF2AK4KDR
SCHEMBL20334 0.85 SYK (0.44) JAK2JAK3KDM4ESYKMEN1
SCHEMBL15208233 0.85 NUAK1 (0.39) JAK2JAK3SYKMEN1KMT2A
SCHEMBL19607 0.85 SYK (0.40) JAK2JAK3KDM4EALDH1A1HPGD
SCHEMBL19605 0.84 NPC1 (0.52) JAK2JAK3KDM4EALDH1A1SYK
SCHEMBL15207719 0.84 FLT3 (0.47) JAK2SYKEIF2AK4PTK2PLK1

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 32/4885KDM4E 1552/4885

“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.