SCHEMBL20176

SCHEMBL20176

COCCCNc1ncc(-c2cc(C)cc(C)c2)n2nc(N)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR7 Q9NYK1 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
HTR6 P50406 2/20 0.34
TLR8 Q9NR97 1/20 0.34
BRD4 O60885 1/20 0.34
FYN P06241 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL15208247 0.88 FYN (0.37) KDM4EALDH1A1HPGDHTTTLR7
SCHEMBL15207401 0.82 TLR7 (0.41) POLBHPGDTLR7TLR8
SCHEMBL17908145 0.80 ALDH1A1 (0.45) KDM4EALDH1A1POLBHPGDLMNA
SCHEMBL15207618 0.76 FYN (0.41) POLBRXFP1TLR8FYN
SCHEMBL20177 0.75 KDM4E (0.41) KDM4EALDH1A1POLBGAAHPGD
SCHEMBL19506 0.73 FGFR1 (0.53) POLBHPGDTLR7TLR8
SCHEMBL20852 0.72 ALDH1A1 (0.45) KDM4EALDH1A1POLBHPGDLMNA
SCHEMBL15207332 0.68 SYK (0.45) KDM4ELMNATP53
SCHEMBL15208253 0.64 BRD4 (0.36) KDM4EALDH1A1POLBGAAHPGD
SCHEMBL24500 0.64 JAK2 (0.38) KDM4EALDH1A1HPGDLMNAHTT

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 KDM4E 1552/4885ALDH1A1 1497/4885POLB 4209/4885

“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.