SCHEMBL23085

SCHEMBL23085

Cc1cccc(Nc2nc3c(NCCCN4CCOCC4)nccn3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.53
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.45
GBA1 P04062 1/20 0.44
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
JAK2 O60674 2/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL24033 0.91 EGFR (0.51) EGFRJAK2JAK3PTK2JAK1
SCHEMBL23523 0.91 LMNA (0.48) EGFRMAPTALDH1A1POLBKDM4E
SCHEMBL23505 0.89 KMT2A (0.53) MAPTALDH1A1POLBKDM4EHTT
SCHEMBL24502 0.87 SLC6A2 (0.51) EGFRMAPTPOLBGSK3AGSK3B
SCHEMBL23858 0.83 POLB (0.45) MAPTALDH1A1POLBKDM4EMEN1
SCHEMBL24685 0.82 EGFR (0.44) EGFRMAPTALDH1A1POLBKDM4E
SCHEMBL24256 0.82 EGFR (0.42) EGFRMAPTJAK2JAK3PTK2
SCHEMBL24180 0.82 PTK2 (0.44) MAPTALDH1A1POLBKDM4EHTT
SCHEMBL23569 0.81 ZAP70 (0.48) MAPTJAK2PTK2
SCHEMBL24602 0.81 RAD52 (0.46) EGFRPOLBHPGDJAK2JAK3

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 EGFR 1974/4885MAPT 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.