SCHEMBL23452

SCHEMBL23452

Cc1cc(C)cc(Nc2nc3c(NCCN)nccn3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.45
JAK2 O60674 2/20 0.40
FLT3 P36888 1/20 0.40
KDR P35968 6/20 0.40
ZAP70 P43403 3/20 0.40
KARS1 Q15046 1/20 0.40
STK17A Q9UEE5 1/20 0.37
AURKB Q96GD4 2/20 0.37
KCNH2 Q12809 1/20 0.37
NPY1R P25929 1/20 0.36
CDK1 P06493 4/20 0.35
IKBKB O14920 2/20 0.35
CHUK O15111 2/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
ERN1 O75460 1/20 0.35
RPS6KA4 O75676 1/20 0.35
PRKD3 O94806 1/20 0.35
KIT P10721 1/20 0.35
CDK11B P21127 1/20 0.35

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 0.89 ZAP70 (0.48) SYKJAK2KDRZAP70KARS1
SCHEMBL23412 0.85 ZAP70 (0.53) SYKJAK2ZAP70KARS1CDK1
SCHEMBL24500 0.84 JAK2 (0.38) SYKJAK2KDRZAP70FLT1
SCHEMBL23494 0.84 SYK (0.44) SYKJAK2FLT3KDRPTK2
SCHEMBL25084 0.83 JAK2 (0.44) SYKJAK2ZAP70STK17ACDK1
SCHEMBL24256 0.81 EGFR (0.42) SYKJAK2FLT3KDRPTK2
SCHEMBL23523 0.80 LMNA (0.48) JAK2PTK2
SCHEMBL24321 0.78 CDK1 (0.55) SYKJAK2KDRZAP70CDK1
SCHEMBL19266 0.76 KDR (0.48) SYKJAK2KDRZAP70FLT1
SCHEMBL15210723 0.75 SYK (0.47) SYKJAK2KDRZAP70KARS1

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 1/4885JAK2 5/4885FLT3 16/4885

“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.