SCHEMBL20643

SCHEMBL20643

COCCCc1cnc(N)c2nc(Nc3ccccc3)nn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.46
TLR7 Q9NYK1 1/20 0.45
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
CCND2 P30279 2/20 0.43
CCND3 P30281 2/20 0.43
CYP1A2 P05177 7/20 0.43
CLK4 Q9HAZ1 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 6/20 0.43
CASP7 P55210 6/20 0.43
HIF1A Q16665 6/20 0.43
CYP3A4 P08684 5/20 0.43
USP2 O75604 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 1/20 0.41

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
SCHEMBL19883 0.89 TP53 (0.42) TLR7CYP1A2CLK4LMNAHIF1A
SCHEMBL19907 0.85 MAPT (0.46) LMNAMAPK1
SCHEMBL19497 0.85 TNK2 (0.46) CDK4CCND1CCND2CCND3CYP1A2
SCHEMBL15207868 0.84 PLK1 (0.41) CDK4CCND1CCND2CCND3CYP1A2
SCHEMBL15206842 0.81 TNK2 (0.47) CDK4ALDH1A1JAK2JAK3
SCHEMBL21245 0.79 MEN1 (0.50) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL20644 0.75 KCNH3 (0.44) KCNH3CDK4CCND1CCND2CCND3
SCHEMBL20001 0.74 TNK2 (0.41) LMNAUSP2MEN1KMT2AJAK2
SCHEMBL21783 0.74 AURKA (0.43) JAK2
SCHEMBL20305 0.72 ZAP70 (0.38) CDK4CYP1A2MAPK1CASP1CASP7

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 8 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
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US 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 KCNH3 1428/4885TLR7 227/4885CDK4 1132/4885

“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.