SCHEMBL19908

SCHEMBL19908

COCCCc1cn2nc(Nc3cccc(C(F)(F)F)c3)nc2c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
IDH2 P48735 5/20 0.42
KDM4E B2RXH2 1/20 0.41
APP P05067 1/20 0.40
BCDIN3D Q7Z5W3 2/20 0.39
JAK2 O60674 3/20 0.39
JAK3 P52333 3/20 0.39
PTK2 Q05397 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
CTSK P43235 1/20 0.38
KCNH2 Q12809 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 0.87 IDH2 (0.44) MAPTLMNAMAPK1IDH2KDM4E
SCHEMBL19884 0.87 MAPT (0.41) MAPTLMNAKDM4EPTK2ALDH1A1
SCHEMBL20262 0.86 MAPT (0.46) MAPTLMNAMAPK1IDH2KDM4E
SCHEMBL20644 0.85 KCNH3 (0.44) MAPTLMNAMAPK1KDM4EJAK2
SCHEMBL17908148 0.84 CTSK (0.46) MAPTIDH2JAK2JAK3PTK2
SCHEMBL19974 0.81 KCNH2 (0.47) LMNAJAK2JAK3PTK2CTSK
SCHEMBL19907 0.79 MAPT (0.46) MAPTLMNAMAPK1IDH2KDM4E
SCHEMBL15206924 0.77 LMNA (0.47) MAPTLMNAMAPK1IDH2KDM4E
SCHEMBL15208060 0.75 IDH2 (0.46) MAPTLMNAMAPK1IDH2KDM4E
SCHEMBL15207316 0.73 KDM4E (0.44) MAPTLMNAMAPK1IDH2KDM4E

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 4697/4885MAPK1 353/4885

“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.