SCHEMBL21581

SCHEMBL21581

Cn1ncc2cc(Nc3nc4c(-c5ccccc5)nccn4n3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
SYK P43405 5/20 0.46
EIF2AK4 Q9P2K8 1/20 0.46
CDC7 O00311 1/20 0.45
CYP1A2 P05177 2/20 0.43
GRM4 Q14833 1/20 0.43
JAK2 O60674 4/20 0.41
JAK3 P52333 4/20 0.41
PTK2 Q05397 3/20 0.41
TRPM5 Q9NZQ8 1/20 0.40
TGFBR1 P36897 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 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
SCHEMBL19202 0.92 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15210487 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15207212 0.82 SYK (0.51) SYKEIF2AK4CYP1A2JAK2JAK3
SCHEMBL21039 0.80 JAK2 (0.53) JAK2JAK3PTK2
SCHEMBL15212567 0.80 SYK (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19913 0.80 JAK2 (0.50) SYKEIF2AK4CYP1A2JAK2JAK3
SCHEMBL20703 0.80 JAK2 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15210947 0.79 SYK (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21722 0.79 ERBB2 (0.42) SYKEIF2AK4CYP1A2ALDH1A1MAPT
SCHEMBL20400 0.78 FLT1 (0.54) SYKEIF2AK4JAK2JAK3PTK2

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
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-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
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 PSEN1 3717/4885PSEN2 4372/4885APH1B 3998/4885

“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.