SCHEMBL19998

SCHEMBL19998

CCOc1ccc(Nc2nc3c(-c4ccc(N)nc4)nccn3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SYK P43405 4/20 0.41
KDM4E B2RXH2 1/20 0.40
NFKB1 P19838 1/20 0.40
JAK2 O60674 6/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 4/20 0.39
PTK2 Q05397 3/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
JAK1 P23458 1/20 0.39
CD63 P08962 1/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
MERTK Q12866 1/20 0.37
MEN1 O00255 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
SCHEMBL19495 0.90 JAK2 (0.49) MAPTSYKKDM4EJAK2JAK3
SCHEMBL15207187 0.88 SYK (0.41) MAPTSYKKDM4ENFKB1JAK2
SCHEMBL31462 0.87 JAK2 (0.49) SYKKDM4ENFKB1JAK2KDR
SCHEMBL19607 0.86 SYK (0.40) MAPTSYKKDM4ENFKB1JAK2
SCHEMBL15206837 0.86 SYK (0.42) MAPTSYKKDM4ENFKB1JAK2
SCHEMBL19605 0.86 NPC1 (0.52) MAPTSYKKDM4ENFKB1JAK2
SCHEMBL15207847 0.85 KCNH2 (0.47) JAK2JAK3PTK2
SCHEMBL20993 0.85 ROCK1 (0.42) SYKJAK2JAK3PTK2CD63
SCHEMBL20334 0.85 SYK (0.44) MAPTSYKKDM4ENFKB1JAK2
SCHEMBL20159 0.84 SCN9A (0.42) SYKJAK2KDRJAK3PTK2

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
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-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
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 MAPT 4687/4885SYK 1/4885KDM4E 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.