SCHEMBL25084

SCHEMBL25084

NCCNc1nccn2nc(Nc3ccccc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.44
JAK3 P52333 5/20 0.44
ZAP70 P43403 1/20 0.42
SYK P43405 1/20 0.42
STK17A Q9UEE5 4/20 0.40
PTK2 Q05397 5/20 0.39
BCDIN3D Q7Z5W3 3/20 0.39
AURKA O14965 1/20 0.37
STK17B O94768 1/20 0.36
CDK1 P06493 1/20 0.36
PRKCA P17252 1/20 0.36
RECQL P46063 1/20 0.36
MCL1 Q07820 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
SCHEMBL23569 0.87 ZAP70 (0.48) JAK2ZAP70SYKPTK2BCDIN3D
SCHEMBL24321 0.84 CDK1 (0.55) JAK2JAK3ZAP70SYKPTK2
SCHEMBL23452 0.83 SYK (0.45) JAK2ZAP70SYKSTK17APTK2
SCHEMBL23403 0.83 TNK2 (0.44) JAK2JAK3PTK2
SCHEMBL23499 0.83 KCNH3 (0.55) JAK2JAK3PTK2
SCHEMBL23412 0.81 ZAP70 (0.53) JAK2ZAP70SYKPTK2CDK1
SCHEMBL24602 0.80 RAD52 (0.46) JAK2JAK3PTK2
SCHEMBL23505 0.79 KMT2A (0.53) JAK2JAK3PTK2
SCHEMBL15210723 0.75 SYK (0.47) JAK2JAK3ZAP70SYKSTK17A
SCHEMBL20035 0.75 JAK2 (0.51) JAK2JAK3PTK2AURKACDK1

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 6 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-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 JAK2 5/4885JAK3 32/4885ZAP70 3/4885

“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.