SCHEMBL23569

SCHEMBL23569

Cc1cccc(Nc2nc3c(NCCN)nccn3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.48
SYK P43405 1/20 0.48
KCNH2 Q12809 1/20 0.48
AURKB Q96GD4 1/20 0.48
PTK2 Q05397 3/20 0.42
AURKA O14965 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDK1 P06493 8/20 0.41
PRKCA P17252 5/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
JAK2 O60674 2/20 0.40
MAPT P10636 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
KARS1 Q15046 1/20 0.39
BCDIN3D Q7Z5W3 1/20 0.39

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
SCHEMBL23452 0.89 SYK (0.45) ZAP70SYKKCNH2AURKBPTK2
SCHEMBL25084 0.87 JAK2 (0.44) ZAP70SYKPTK2AURKACDK1
SCHEMBL24180 0.86 PTK2 (0.44) SYKPTK2SMN1; SMN2FLT1FLT4
SCHEMBL24685 0.86 EGFR (0.44) SYKPTK2AURKAFLT1FLT4
SCHEMBL24321 0.85 CDK1 (0.55) ZAP70SYKPTK2AURKACDK1
SCHEMBL24033 0.83 EGFR (0.51) PTK2KDRJAK2
SCHEMBL23085 0.81 EGFR (0.53) PTK2JAK2MAPT
SCHEMBL23412 0.80 ZAP70 (0.53) ZAP70SYKPTK2CDK1JAK2
SCHEMBL21018 0.78 NFKB1 (0.51) ZAP70SYKPTK2AURKANPC1
SCHEMBL24622 0.78 IDH2 (0.47) PTK2AURKACDK1PRKCAFLT1

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 ZAP70 3/4885SYK 1/4885KCNH2 871/4885

“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.