SCHEMBL23523

SCHEMBL23523

Cc1cc(C)cc(Nc2nc3c(NCCCN4CCOCC4)nccn3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
EGFR P00533 3/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 2/20 0.41
JAK1 P23458 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CASP1 P29466 1/20 0.40
MAPK1 P28482 2/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 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
SCHEMBL23085 0.91 EGFR (0.53) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL24256 0.90 EGFR (0.42) LMNAMAPTEGFRJAK2JAK1
SCHEMBL23858 0.88 POLB (0.45) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL23505 0.87 KMT2A (0.53) LMNAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL24502 0.82 SLC6A2 (0.51) LMNAMAPTEGFRPOLBJAK2
SCHEMBL24033 0.81 EGFR (0.51) EGFRJAK2JAK1JAK3PTK2
SCHEMBL23494 0.80 SYK (0.44) ALDH1A1KDM4EHSD17B10HPGDEGFR
SCHEMBL24500 0.80 JAK2 (0.38) LMNAALDH1A1KDM4EHPGDHTT
SCHEMBL23452 0.80 SYK (0.45) JAK2PTK2
SCHEMBL24403 0.79 JAK2 (0.44) MAPTHPGDPOLBJAK2JAK3

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 8 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
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
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 LMNA 4697/4885MAPT 4687/4885ALDH1A1 1497/4885

“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.