SCHEMBL19580

SCHEMBL19580

c1ccc(Cn2ncc3ccc(Nc4nc5c(-c6cccnc6)nccn5n4)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 5/20 0.42
EGFR P00533 3/20 0.42
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
RECQL P46063 1/20 0.38
SYK P43405 1/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
JAK2 O60674 2/20 0.38
PTK2 Q05397 2/20 0.38
JAK3 P52333 1/20 0.38
AURKA O14965 1/20 0.36
BRD4 O60885 1/20 0.36
ACVR1 Q04771 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL21722 0.95 ERBB2 (0.42) ERBB2EGFRRECQLSYKEIF2AK4
SCHEMBL21088 0.86 ERBB2 (0.41) ERBB2EGFRSYKEIF2AK4JAK2
SCHEMBL19212 0.85 ERBB2 (0.44) ERBB2EGFRRECQLBRD4CYP3A4
SCHEMBL21734 0.85 ERBB2 (0.40) ERBB2EGFRADORA2AADORA1RECQL
SCHEMBL24535 0.84 ERBB2 (0.47) ERBB2EGFRRECQLSYKCYP3A4
SCHEMBL23924 0.84 ERBB2 (0.47) ERBB2EGFRRECQLSYKCYP3A4
SCHEMBL19202 0.81 PSEN1 (0.46) SYKEIF2AK4JAK2PTK2JAK3
SCHEMBL22927 0.81 ERBB2 (0.48) ERBB2EGFRCYP3A4CYP2D6CYP2C9
SCHEMBL24431 0.81 ERBB2 (0.48) ERBB2EGFRCYP3A4CYP2D6CYP2C9
SCHEMBL19500 0.80 AURKA (0.53) EGFRADORA2AJAK2PTK2JAK3

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-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
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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 1974/4885ADORA2A 974/4885

“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.