SCHEMBL19614

SCHEMBL19614

CN(C)CCCc1cnc(N)c2nc(Nc3cccc(C(F)(F)F)c3)nn12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 8/20 0.46
SYK P43405 2/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.41
BCDIN3D Q7Z5W3 1/20 0.40
AURKA O14965 1/20 0.39
GAA P10253 1/20 0.39
CDK1 P06493 1/20 0.39
PRKCA P17252 1/20 0.39
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 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
SCHEMBL19907 0.87 MAPT (0.46) IDH2SYKMAPTLMNAKDM4E
SCHEMBL20001 0.87 TNK2 (0.41) SYKMAPTLMNAAURKACDK2
SCHEMBL20261 0.87 KDM4E (0.47) IDH2SYKMAPTLMNAKDM4E
SCHEMBL19497 0.85 TNK2 (0.46) CDK1CDK4CDK2
SCHEMBL17908147 0.84 IDH2 (0.46) IDH2MAPTLMNAKDM4E
SCHEMBL19973 0.82 USP2 (0.47) MAPTLMNA
SCHEMBL22264 0.81 NOS1 (0.38) SYKCDK2
SCHEMBL19615 0.79 IDH2 (0.44) IDH2SYKMAPTLMNAKDM4E
SCHEMBL2113284 0.78 KDM4E (0.51) IDH2SYKMAPTLMNAKDM4E
SCHEMBL15208059 0.76 KDM4E (0.46) IDH2SYKMAPTLMNAKDM4E

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 IDH2 1258/4885SYK 1/4885MAPT 4687/4885

“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.