SCHEMBL23412

SCHEMBL23412

COc1cc(Nc2nc3c(NCCN)nccn3n2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.53
KARS1 Q15046 9/20 0.53
SYK P43405 6/20 0.53
CDK1 P06493 2/20 0.42
JAK2 O60674 6/20 0.41
PTK2 Q05397 6/20 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
SCHEMBL23275 0.87 ZAP70 (0.44) ZAP70KARS1SYKJAK2PTK2
SCHEMBL24392 0.85 ZAP70 (0.42) ZAP70KARS1SYKJAK2PTK2
SCHEMBL23452 0.85 SYK (0.45) ZAP70KARS1SYKCDK1JAK2
SCHEMBL24403 0.82 JAK2 (0.44) ZAP70SYKJAK2PTK2
SCHEMBL20561 0.82 ZAP70 (0.54) ZAP70KARS1SYKJAK2PTK2
SCHEMBL23858 0.81 POLB (0.45) SYKJAK2PTK2
SCHEMBL25084 0.81 JAK2 (0.44) ZAP70SYKCDK1JAK2PTK2
SCHEMBL23569 0.80 ZAP70 (0.48) ZAP70KARS1SYKCDK1JAK2
SCHEMBL21985 0.79 JAK2 (0.41) ZAP70KARS1SYKJAK2PTK2
SCHEMBL20918 0.78 FLT1 (0.42) ZAP70KARS1SYKJAK2PTK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ZAP70 3/4885KARS1 483/4885SYK 1/4885

“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.