SCHEMBL20262

SCHEMBL20262

NCCc1cn2nc(Nc3cccc(C(F)(F)F)c3)nc2c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
IDH2 P48735 8/20 0.45
BCDIN3D Q7Z5W3 1/20 0.43
CDK1 P06493 2/20 0.43
PRKCA P17252 2/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AURKA O14965 1/20 0.41
MAPK1 P28482 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL19615 0.86 IDH2 (0.44) MAPTLMNAKDM4EIDH2BCDIN3D
SCHEMBL19908 0.86 MAPT (0.44) MAPTLMNAKDM4EIDH2BCDIN3D
SCHEMBL21784 0.84 SLC2A1 (0.42) MAPTLMNARAB9ASMN1; SMN2AURKA
SCHEMBL17908148 0.83 CTSK (0.46) MAPTIDH2SMN1; SMN2EGFR
SCHEMBL15207869 0.83 JAK2 (0.43) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL19974 0.83 KCNH2 (0.47) LMNASMN1; SMN2EGFR
SCHEMBL15208060 0.78 IDH2 (0.46) MAPTLMNAKDM4EIDH2BCDIN3D
SCHEMBL15207754 0.77 KDR (0.34) MAPT
SCHEMBL20261 0.76 KDM4E (0.47) MAPTLMNAKDM4EIDH2BCDIN3D
SCHEMBL15206924 0.75 LMNA (0.47) MAPTLMNAKDM4EIDH2MAPK1

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 MAPT 4687/4885LMNA 4697/4885KDM4E 1552/4885

“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.