SCHEMBL24033

SCHEMBL24033

Cc1cccc(Nc2nc3c(NCCCN4CCN(C)CC4)nccn3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.51
JAK2 O60674 14/20 0.44
PTK2 Q05397 11/20 0.44
JAK3 P52333 8/20 0.44
INSR P06213 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
HCK P08631 1/20 0.42
SRC P12931 1/20 0.42
KDR P35968 1/20 0.42
JAK1 P23458 1/20 0.41

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) EGFRJAK2PTK2JAK3JAK1
SCHEMBL24256 0.91 EGFR (0.42) EGFRJAK2PTK2JAK3SRC
SCHEMBL24602 0.90 RAD52 (0.46) EGFRJAK2PTK2JAK3KDR
SCHEMBL24074 0.88 JAK2 (0.48) EGFRJAK2PTK2JAK3INSR
SCHEMBL24685 0.83 EGFR (0.44) EGFRJAK2PTK2JAK3INSR
SCHEMBL24180 0.83 PTK2 (0.44) JAK2PTK2JAK3KDR
SCHEMBL23569 0.83 ZAP70 (0.48) JAK2PTK2KDR
SCHEMBL24403 0.83 JAK2 (0.44) JAK2PTK2JAK3KDR
SCHEMBL23523 0.81 LMNA (0.48) EGFRJAK2PTK2JAK3JAK1
SCHEMBL23505 0.79 KMT2A (0.53) JAK2PTK2JAK3

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 1974/4885JAK2 5/4885PTK2 367/4885

“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.