SCHEMBL21722

SCHEMBL21722

c1ccc(Cn2ncc3ccc(Nc4nc5c(-c6ccccc6)nccn5n4)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.42
EGFR P00533 9/20 0.42
RECQL P46063 1/20 0.41
SYK P43405 1/20 0.40
EIF2AK4 Q9P2K8 1/20 0.40
BRD4 O60885 1/20 0.38
MEN1 O00255 1/20 0.37
RGS12 O14924 1/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAF1 P04049 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL19580 0.95 ERBB2 (0.42) ERBB2EGFRRECQLSYKEIF2AK4
SCHEMBL21088 0.90 ERBB2 (0.41) ERBB2EGFRSYKEIF2AK4BRD4
SCHEMBL19212 0.89 ERBB2 (0.44) ERBB2EGFRRECQLBRD4MEN1
SCHEMBL21734 0.88 ERBB2 (0.40) ERBB2EGFRRECQLSYKEIF2AK4
SCHEMBL24535 0.87 ERBB2 (0.47) ERBB2EGFRRECQLSYKMEN1
SCHEMBL23924 0.87 ERBB2 (0.47) ERBB2EGFRRECQLSYKMEN1
SCHEMBL19202 0.86 PSEN1 (0.46) SYKEIF2AK4MEN1ALDH1A1LMNA
SCHEMBL24431 0.84 ERBB2 (0.48) ERBB2EGFRMEN1RGS12GMNN
SCHEMBL22927 0.84 ERBB2 (0.48) ERBB2EGFRMEN1RGS12GMNN
SCHEMBL23474 0.82 ALDH1A1 (0.51) ERBB2EGFRMEN1RGS12GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP claimed
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-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO claimed
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP disclosed
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-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
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 ERBB2 264/4885EGFR 1974/4885RECQL 1055/4885

“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.