SCHEMBL20001

SCHEMBL20001

Cc1cccc(Nc2nc3c(N)ncc(CCCN(C)C)n3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SLC2A1 P11166 1/20 0.40
NOD1 Q9Y239 1/20 0.40
NFKB1 P19838 1/20 0.39
EGFR P00533 1/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
PTK2 Q05397 1/20 0.38
JAK2 O60674 1/20 0.37
HTT P42858 1/20 0.37
AURKA O14965 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.36
SRC P12931 1/20 0.36
CDK2 P24941 1/20 0.36
ZAP70 P43403 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL22264 0.90 NOS1 (0.38) TNK2SRCCDK2ZAP70SYK
SCHEMBL19497 0.89 TNK2 (0.46) TNK2NPC1RAB9AEGFRSRC
SCHEMBL19614 0.87 IDH2 (0.46) MAPTAURKALMNACDK2SYK
SCHEMBL21783 0.87 AURKA (0.43) NPC1RAB9ASLC2A1NOD1NFKB1
SCHEMBL19883 0.86 TP53 (0.42) NPC1RAB9ASLC2A1NOD1NFKB1
SCHEMBL19190 0.83 MAPT (0.44) TNK2NPC1RAB9ASLC2A1NOD1
SCHEMBL18859 0.82 MAPT (0.47) TNK2NPC1RAB9AEGFRMAPT
SCHEMBL20002 0.77 SLC2A1 (0.39) TNK2NPC1RAB9ASLC2A1NOD1
SCHEMBL5520429 0.76 AURKA (0.47) NPC1RAB9ASLC2A1NOD1NFKB1
SCHEMBL15207753 0.76 SYK (0.36) NPC1RAB9AJAK2SMN1; SMN2SRC

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 TNK2 539/4885NPC1 4605/4885RAB9A 3444/4885

“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.