SCHEMBL23542

SCHEMBL23542

COc1cc(OC)cc(-c2nccn3nc(Nc4ccc(Sc5nccn5C)c(Cl)c4)nc23)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.46
MAP2K1 Q02750 11/20 0.42
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
MAP3K1 Q13233 1/20 0.39
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SYK P43405 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
GCK P35557 1/20 0.37

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
SCHEMBL24060 0.88 IGF1R (0.47) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL24767 0.88 IGF1R (0.47) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL20315 0.88 IGF1R (0.42) IGF1RMAP2K1SYKEIF2AK4
SCHEMBL23434 0.84 IGF1R (0.46) IGF1RMAP2K1
SCHEMBL23678 0.79 IGF1R (0.44) IGF1RMAP2K1
SCHEMBL15216751 0.79 IGF1R (0.44) IGF1RMAP2K1
SCHEMBL21584 0.78 FLT1 (0.44) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL15206957 0.78 IGF1R (0.38) IGF1RMAP2K1MAPK3MAPK1MAP3K1
SCHEMBL15216750 0.77 NPC1 (0.45) IGF1RMAP2K1NPC1RAB9A
SCHEMBL21661 0.77 JAK2 (0.51) 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 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 claimed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US claimed
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-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 IGF1R 101/4885MAP2K1 987/4885MAPK3 836/4885

“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.