SCHEMBL20853

SCHEMBL20853

COc1cc(OC)cc(-c2cn3nc(N)nc3c(NCCCN3CCOCC3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.48
TLR7 Q9NYK1 2/20 0.48
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 6/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44
USP2 O75604 3/20 0.43
HPGD P15428 3/20 0.43

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
SCHEMBL19507 0.91 FGFR1 (0.49) TLR9TLR7TP53HPGDPOLB
SCHEMBL17908146 0.88 ALDH1A1 (0.46) TLR9TLR7KDM4EALDH1A1KMT2A
SCHEMBL15207623 0.81 CALCA (0.39) KMT2AMEN1RAD52POLBMAPT
SCHEMBL20852 0.79 ALDH1A1 (0.45) TLR9TLR7KDM4EALDH1A1KMT2A
SCHEMBL15207403 0.78 NOS3 (0.42) TLR7KDM4EALDH1A1KMT2AMEN1
SCHEMBL20177 0.72 KDM4E (0.41) TLR7KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL23858 0.70 POLB (0.45) TLR9TLR7KDM4EALDH1A1KMT2A
SCHEMBL19506 0.70 FGFR1 (0.53) TLR7HPGDPOLBMAPTFGFR1
SCHEMBL4118857 0.69 HSD17B10 (0.64) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL17908145 0.67 ALDH1A1 (0.45) TLR7KDM4EALDH1A1KMT2AMEN1

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 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-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP 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 TLR9 371/4885TLR7 227/4885KDM4E 1552/4885

“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.