SCHEMBL19615

SCHEMBL19615

CN(C)CCCc1cn2nc(Nc3cccc(C(F)(F)F)c3)nc2c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 6/20 0.44
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SYK P43405 2/20 0.41
MAPK1 P28482 1/20 0.40
BCDIN3D Q7Z5W3 2/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK1 P06493 1/20 0.38
PRKCA P17252 1/20 0.38
AURKA O14965 1/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL19908 0.87 MAPT (0.44) IDH2MAPTLMNAKDM4EMAPK1
SCHEMBL20002 0.87 SLC2A1 (0.39) MAPTLMNASYKRAB9ASMN1; SMN2
SCHEMBL20262 0.86 MAPT (0.46) IDH2MAPTLMNAKDM4EMAPK1
SCHEMBL19498 0.85 TNK2 (0.41) ALDH1A1RAB9A
SCHEMBL17908148 0.84 CTSK (0.46) IDH2MAPTSMN1; SMN2
SCHEMBL19974 0.81 KCNH2 (0.47) LMNASMN1; SMN2
SCHEMBL22265 0.80 NOS1 (0.44) SYK
SCHEMBL19614 0.79 IDH2 (0.46) IDH2MAPTLMNAKDM4ESYK
SCHEMBL15208060 0.75 IDH2 (0.46) IDH2MAPTLMNAKDM4EMAPK1
SCHEMBL2113284 0.75 KDM4E (0.51) IDH2MAPTLMNAKDM4ESYK

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 1258/4885MAPT 4687/4885LMNA 4697/4885

“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.