SCHEMBL17075600

SCHEMBL17075600

CC(C)(C)OC(=O)N1CCCC(Cn2nnc3ncc(Br)nc32)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.43
CTSD P07339 1/20 0.43
GLS O94925 2/20 0.42
CYP2C9 P11712 1/20 0.41
FEN1 P39748 2/20 0.41
TGFBR1 P36897 1/20 0.41
MET P08581 2/20 0.40
ALOX5AP P20292 1/20 0.40
IRAK1 P51617 1/20 0.40
PIK3CD O00329 3/20 0.39
CHEK2 O96017 1/20 0.39
SCN9A Q15858 1/20 0.39
ACKR3 P25106 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 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
SCHEMBL17075684 1.00 BACE1 (0.43) BACE1CTSDGLSCYP2C9FEN1
SCHEMBL17075574 0.83 MET (0.59) METIRAK1
SCHEMBL17075572 0.83 MET (0.59) METIRAK1
SCHEMBL17075580 0.82 EPHA2 (0.41) MET
SCHEMBL17075578 0.82 EPHA2 (0.41) MET
SCHEMBL30922638 0.76 FEN1 (0.46) BACE1CTSDGLSCYP2C9FEN1
SCHEMBL3461642 0.75 BACE1 (0.48) BACE1CTSDGLSCYP2C9FEN1
SCHEMBL2802074 0.75 FEN1 (0.45) BACE1CTSDGLSCYP2C9FEN1
SCHEMBL17075714 0.74 IRAK1 (0.53) BACE1CTSDGLSCYP2C9FEN1
SCHEMBL482351 0.74 IRAK1 (0.53) BACE1CTSDGLSCYP2C9FEN1

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
EP-3053923-B1 TRIAZOLOPYRAZINE DERIVATIVES AS TYROSIN KINASE INHIBITORS KOREA RES INST CHEMICAL TECH (KR) 2018-04-11 EP disclosed
EP-3053923-A1 NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF Korea Research Institute of Chemical Technology (KR) 2016-08-10 EP disclosed
US-9403831-B2 Triazolopyrazine derivative and use thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-08-02 US disclosed
US-9403831-B2 Triazolopyrazine derivative and use thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-08-02 US disclosed
US-9403831-B2 Triazolopyrazine derivative and use thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-08-02 US disclosed
US-20150259350-A1 NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF HANDOK INC. (KR) 2015-09-17 US disclosed
US-20150259350-A1 NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF HANDOK INC. (KR) 2015-09-17 US disclosed
US-20150259350-A1 NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF HANDOK INC. (KR) 2015-09-17 US 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-20150259350-A1 NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF MET, RET, BRAF BACE1 3480/4885CTSD 1977/4885GLS 1544/4885

“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.