SCHEMBL20852

SCHEMBL20852

COc1cc(OC)cc(-c2cnc(NCCCN3CCOCC3)c3nc(N)nn23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 4/20 0.45
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
FGFR1 P11362 5/20 0.45
FGFR2 P21802 5/20 0.45
FGFR4 P22455 5/20 0.45
FGFR3 P22607 5/20 0.45
KDR P35968 4/20 0.45
FLT1 P17948 3/20 0.45
FLT4 P35916 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL19506 0.91 FGFR1 (0.53) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL17908145 0.88 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4EKMT2ANPC1
SCHEMBL15208247 0.83 FYN (0.37) ALDH1A1HSD17B10KDM4EFGFR1FGFR2
SCHEMBL15207618 0.81 FYN (0.41) KMT2AFGFR1FGFR2FGFR4FGFR3
SCHEMBL20853 0.79 TLR9 (0.48) ALDH1A1HSD17B10KDM4EKMT2ANPC1
SCHEMBL15207401 0.79 TLR7 (0.41) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL20176 0.72 KDM4E (0.40) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL4118857 0.72 HSD17B10 (0.64) ALDH1A1HSD17B10KDM4EKMT2ANPC1
SCHEMBL19507 0.70 FGFR1 (0.49) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL23858 0.70 POLB (0.45) ALDH1A1HSD17B10KDM4EKMT2ANPC1

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 ALDH1A1 1497/4885HSD17B10 4616/4885KDM4E 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.