SCHEMBL24403

SCHEMBL24403

COc1cc(Nc2nc3c(NCCCN4CCN(C)CC4)nccn3n2)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.44
PTK2 Q05397 7/20 0.44
JAK3 P52333 3/20 0.43
FGFR1 P11362 5/20 0.43
FGFR2 P21802 5/20 0.43
FGFR4 P22455 5/20 0.43
FGFR3 P22607 5/20 0.43
KDR P35968 5/20 0.43
FLT1 P17948 4/20 0.41
FLT4 P35916 4/20 0.41
PGK1 P00558 1/20 0.41
ZAP70 P43403 1/20 0.40
SYK P43405 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
BRD4 O60885 1/20 0.40
FLT3 P36888 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
UBE2N P61088 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL23858 0.91 POLB (0.45) JAK2PTK2JAK3FGFR1FGFR2
SCHEMBL24256 0.88 EGFR (0.42) JAK2PTK2JAK3FGFR1FGFR2
SCHEMBL24602 0.85 RAD52 (0.46) JAK2PTK2JAK3FGFR1KDR
SCHEMBL23275 0.84 ZAP70 (0.44) JAK2PTK2JAK3KDRFLT1
SCHEMBL24392 0.83 ZAP70 (0.42) JAK2PTK2JAK3ZAP70SYK
SCHEMBL24033 0.83 EGFR (0.51) JAK2PTK2JAK3KDR
SCHEMBL23412 0.82 ZAP70 (0.53) JAK2PTK2ZAP70SYK
SCHEMBL24074 0.80 JAK2 (0.48) JAK2PTK2JAK3KDR
SCHEMBL15210458 0.79 JAK2 (0.55) JAK2PTK2JAK3BRD4
SCHEMBL23523 0.79 LMNA (0.48) JAK2PTK2JAK3POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US claimed
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
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 JAK2 5/4885PTK2 367/4885JAK3 32/4885

“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.