SCHEMBL15207847

SCHEMBL15207847

Nc1ccc(-c2nccn3nc(Nc4ccc(OC(F)(F)F)cc4)nc23)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
CHRNA7 P36544 5/20 0.41
PLK1 P53350 1/20 0.38
CTSC P53634 1/20 0.38
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
PTK2 Q05397 2/20 0.38
SMO Q99835 1/20 0.38
TDO2 P48775 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36

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
SCHEMBL20668 0.88 JAK2 (0.42) KCNH2SCN5ASCN9ACHRNA7PLK1
SCHEMBL19495 0.87 JAK2 (0.49) JAK2JAK3PTK2
SCHEMBL15206945 0.87 JAK2 (0.48) KCNH2SCN5ASCN9ACHRNA7JAK2
SCHEMBL19101 0.87 TRPA1 (0.44) KCNH2SCN5ASCN9ACHRNA7PLK1
SCHEMBL20993 0.86 ROCK1 (0.42) JAK2JAK3PTK2
SCHEMBL20546 0.86 JAK2 (0.44) KCNH2SCN5ASCN9APLK1CTSC
SCHEMBL15207567 0.86 KIT (0.40) KCNH2SCN5ASCN9ACHRNA7PLK1
SCHEMBL19998 0.85 MAPT (0.43) JAK2JAK3PTK2
SCHEMBL15207000 0.85 ABL1 (0.42) KCNH2SCN5ASCN9ACHRNA7CTSC
SCHEMBL20159 0.83 SCN9A (0.42) KCNH2SCN5ASCN9AJAK2JAK3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US 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 KCNH2 871/4885SCN5A 2656/4885SCN9A 4405/4885

“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.