SCHEMBL19497

SCHEMBL19497

CN(C)CCCc1cnc(N)c2nc(Nc3ccccc3)nn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 5/20 0.46
EGFR P00533 1/20 0.40
PLK1 P53350 2/20 0.39
SRC P12931 2/20 0.39
CYP1A2 P05177 3/20 0.37
MEN1 O00255 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
KLF5 Q13887 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL20001 0.89 TNK2 (0.41) TNK2EGFRSRCMEN1KMT2A
SCHEMBL22264 0.86 NOS1 (0.38) TNK2PLK1SRCCDK2
SCHEMBL19614 0.85 IDH2 (0.46) CDK1CDK4CDK2
SCHEMBL20643 0.85 KCNH3 (0.46) PLK1CYP1A2MEN1CYP2C9CYP2C19
SCHEMBL15207868 0.84 PLK1 (0.41) PLK1SRCCYP1A2MEN1CYP2C9
SCHEMBL15206842 0.81 TNK2 (0.47) TNK2EGFRSRCL3MBTL1ALDH1A1
SCHEMBL21245 0.79 MEN1 (0.50) TNK2MEN1KMT2APKMRAB9A
SCHEMBL19498 0.75 TNK2 (0.41) TNK2SRCNPC1PKMRAB9A
SCHEMBL19883 0.74 TP53 (0.42) SRCCYP1A2MEN1CYP2C9KMT2A
SCHEMBL21783 0.74 AURKA (0.43) SRCNPC1RAB9ACDK1CCNB1

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 539/4885EGFR 1974/4885PLK1 692/4885

“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.