SCHEMBL24685

SCHEMBL24685

Cc1cccc(Nc2nc3c(NCCCN(C)C)nccn3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
BRD4 O60885 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
KMT2A Q03164 2/20 0.41
RAD52 P43351 1/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA2A P29274 1/20 0.41
PTK2 Q05397 4/20 0.40
JAK2 O60674 3/20 0.40
TGFBR1 P36897 1/20 0.40
TNK2 Q07912 1/20 0.39
HTR6 P50406 1/20 0.38
JAK3 P52333 1/20 0.38
KDR P35968 2/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38

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
SCHEMBL23494 0.90 SYK (0.44) EGFRBRD4ATAD2KMT2ARAD52
SCHEMBL23403 0.89 TNK2 (0.44) BRD4ATAD2KMT2ARAD52POLB
SCHEMBL15207975 0.87 SYK (0.46) RAD52KDRINSRLCKLYN
SCHEMBL24180 0.86 PTK2 (0.44) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL23569 0.86 ZAP70 (0.48) PTK2JAK2KDRFLT1FLT4
SCHEMBL24033 0.83 EGFR (0.51) EGFRPTK2JAK2JAK3KDR
SCHEMBL23085 0.82 EGFR (0.53) EGFRKMT2APOLBKDM4EALDH1A1
SCHEMBL24392 0.81 ZAP70 (0.42) BRD4ATAD2KMT2ARAD52POLB
SCHEMBL24500 0.76 JAK2 (0.38) KDM4EALDH1A1HPGDPTK2JAK2
SCHEMBL21018 0.75 NFKB1 (0.51) POLBPTK2JAK2JAK3KDR

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 1974/4885BRD4 949/4885ATAD2 3061/4885

“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.