SCHEMBL24474

SCHEMBL24474

NC1CCCCC1Nc1nccn2nc(Nc3ccccc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.47
CLK1 P49759 4/20 0.42
CLK2 P49760 4/20 0.42
CLK4 Q9HAZ1 4/20 0.42
CDK1 P06493 3/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND3 P30281 1/20 0.42
CDC7 O00311 1/20 0.42
PIM1 P11309 1/20 0.42
GSK3B P49841 1/20 0.42
ZAP70 P43403 2/20 0.42
KAT2B Q92831 2/20 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
SCHEMBL24615 0.89 SYK (0.53) SYKCLK2CLK4CDK1CDC7
SCHEMBL23608 0.86 CDK1 (0.57) SYKCLK1CLK2CLK4CDK1
SCHEMBL24327 0.85 SYK (0.56) SYKCLK1CLK2CLK4CDK1
SCHEMBL15207238 0.83 SYK (0.57) SYKZAP70
SCHEMBL25084 0.73 JAK2 (0.44) SYKCDK1ZAP70
SCHEMBL20035 0.70 JAK2 (0.51) CDK1PIM1GSK3B
SCHEMBL19913 0.69 JAK2 (0.50) SYKGSK3B
SCHEMBL19371 0.67 CDK4 (0.41) SYKCLK4CDK1CDK4CCNB1
SCHEMBL23189 0.67 IDH2 (0.57)
SCHEMBL24629 0.67 IDH2 (0.57)

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 SYK 1/4885CLK1 715/4885CLK2 443/4885

“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.