SCHEMBL21783

SCHEMBL21783

Cc1cccc(Nc2nc3c(N)ncc(CCN)n3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SLC2A1 P11166 1/20 0.41
NOD1 Q9Y239 1/20 0.41
PTK2 Q05397 1/20 0.41
JAK2 O60674 1/20 0.40
NFKB1 P19838 1/20 0.40
SYK P43405 4/20 0.39
ZAP70 P43403 2/20 0.39
AURKB Q96GD4 2/20 0.39
KCNH2 Q12809 1/20 0.39
CDK2 P24941 2/20 0.39
SRC P12931 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38

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
SCHEMBL15207753 0.89 SYK (0.36) NPC1RAB9AJAK2SYKZAP70
SCHEMBL20001 0.87 TNK2 (0.41) AURKANPC1RAB9ASLC2A1NOD1
SCHEMBL19883 0.87 TP53 (0.42) AURKANPC1RAB9ASLC2A1NOD1
SCHEMBL15207868 0.86 PLK1 (0.41) AURKANPC1RAB9APTK2JAK2
SCHEMBL20261 0.84 KDM4E (0.47) AURKARAB9ASYKZAP70MAPT
SCHEMBL19190 0.83 MAPT (0.44) NPC1RAB9ASLC2A1NOD1JAK2
SCHEMBL18859 0.82 MAPT (0.47) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL20305 0.79 ZAP70 (0.38) SYKZAP70CDK2SRCSMN1; SMN2
SCHEMBL22264 0.75 NOS1 (0.38) SYKZAP70CDK2SRC
SCHEMBL21784 0.75 SLC2A1 (0.42) AURKANPC1RAB9ASLC2A1NOD1

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 AURKA 1170/4885NPC1 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.