SCHEMBL23494

SCHEMBL23494

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.44
FLT3 P36888 2/20 0.44
ATAD2 Q6PL18 2/20 0.42
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR6 P50406 1/20 0.37
TGFBR1 P36897 1/20 0.36
KDR P35968 4/20 0.36
CHEK1 O14757 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 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
SCHEMBL24685 0.90 EGFR (0.44) SYKFLT3ATAD2BRD4ALDH1A1
SCHEMBL24392 0.87 ZAP70 (0.42) SYKFLT3ATAD2BRD4KMT2A
SCHEMBL23403 0.86 TNK2 (0.44) ATAD2BRD4ALDH1A1KDM4EKMT2A
SCHEMBL24500 0.85 JAK2 (0.38) SYKALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL23452 0.84 SYK (0.45) SYKFLT3KDRJAK2PTK2
SCHEMBL24256 0.82 EGFR (0.42) SYKFLT3RAD52KDREGFR
SCHEMBL15207975 0.81 SYK (0.46) SYKRAD52KDRCHEK1
SCHEMBL23523 0.80 LMNA (0.48) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL24180 0.76 PTK2 (0.44) SYKALDH1A1KDM4EKMT2AHTT
SCHEMBL23569 0.74 ZAP70 (0.48) SYKSMN1; SMN2KDRJAK2PTK2

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 7 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
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 1/4885FLT3 16/4885ATAD2 3061/4885

“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.