SCHEMBL19605

SCHEMBL19605

CCOc1ccc(Nc2nc3c(-c4cccnc4)nccn3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
AURKA O14965 1/20 0.46
JAK2 O60674 5/20 0.45
JAK3 P52333 4/20 0.45
PTK2 Q05397 4/20 0.45
NFKB1 P19838 2/20 0.43
TP53 P04637 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SYK P43405 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL20334 0.91 SYK (0.44) NPC1RAB9AKMT2AMEN1AURKA
SCHEMBL19845 0.89 AURKA (0.58) AURKAJAK2JAK3PTK2KDM4E
SCHEMBL19998 0.86 MAPT (0.43) NPC1RAB9AKMT2AMEN1JAK2
SCHEMBL15207187 0.86 SYK (0.41) NPC1JAK2JAK3PTK2NFKB1
SCHEMBL31462 0.85 JAK2 (0.49) JAK2JAK3PTK2NFKB1SYK
SCHEMBL19540 0.84 JAK2 (0.44) AURKAJAK2JAK3PTK2TP53
SCHEMBL20546 0.84 JAK2 (0.44) NPC1RAB9ACYP11B1CYP11B2AURKA
SCHEMBL30790 0.84 JAK2 (0.39) NPC1RAB9AKMT2AMEN1CYP19A1
SCHEMBL19500 0.84 AURKA (0.53) NPC1RAB9AKMT2AMEN1AURKA
SCHEMBL15206837 0.84 SYK (0.42) NPC1RAB9AKMT2AMEN1JAK2

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 5 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-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 NPC1 4605/4885RAB9A 3444/4885KMT2A 884/4885

“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.