SCHEMBL20644

SCHEMBL20644

COCCCc1cn2nc(Nc3ccccc3)nc2c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.44
JAK2 O60674 4/20 0.42
JAK3 P52333 3/20 0.42
CYP1A2 P05177 6/20 0.41
CLK4 Q9HAZ1 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 4/20 0.40
TSHR P16473 1/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CCND2 P30279 2/20 0.40
CCND3 P30281 2/20 0.40
USP2 O75604 5/20 0.39
CASP1 P29466 5/20 0.39
CASP7 P55210 5/20 0.39
HIF1A Q16665 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL19884 0.89 MAPT (0.41) CYP1A2CLK4LMNACYP3A4TSHR
SCHEMBL19908 0.85 MAPT (0.44) JAK2JAK3LMNAMAPK1ALDH1A1
SCHEMBL19498 0.84 TNK2 (0.41) JAK2JAK3ALDH1A1LRRK2L3MBTL1
SCHEMBL15207869 0.83 JAK2 (0.43) JAK2JAK3CYP1A2CLK4LMNA
SCHEMBL15206844 0.81 TNK2 (0.41) JAK2JAK3MAPK1MAPT
SCHEMBL21246 0.78 MEN1 (0.48) LMNAMAPK1CYP3A4MEN1KMT2A
SCHEMBL20643 0.75 KCNH3 (0.46) KCNH3JAK2JAK3CYP1A2CLK4
SCHEMBL20002 0.74 SLC2A1 (0.39) LMNAUSP2MAPT
SCHEMBL21784 0.73 SLC2A1 (0.42) LMNAUSP2MAPTNPSR1L3MBTL1
SCHEMBL20306 0.72 JAK2 (0.34) JAK2JAK3

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 1428/4885JAK2 5/4885JAK3 32/4885

“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.