SCHEMBL23920

SCHEMBL23920

FC(F)(F)c1cccc(Nc2nccn3nc(Nc4ccc5cnn(Cc6ccccc6)c5c4)nc23)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSC P53634 7/20 0.44
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
ERBB2 P04626 2/20 0.41
EGFR P00533 1/20 0.41
IDH2 P48735 1/20 0.40
GSK3B P49841 2/20 0.40
CDK2 P24941 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
AURKA O14965 1/20 0.39
SYK P43405 1/20 0.38
BCDIN3D Q7Z5W3 1/20 0.38
PRMT5 O14744 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
SCHEMBL24773 1.00 CTSC (0.44) CTSCGRIN1GRIN2BERBB2EGFR
SCHEMBL23924 0.91 ERBB2 (0.47) ERBB2EGFRSYKPRMT5
SCHEMBL24535 0.91 ERBB2 (0.47) ERBB2EGFRSYKPRMT5
SCHEMBL24110 0.88 ALDH1A1 (0.51) ERBB2EGFRPRMT5
SCHEMBL23474 0.88 ALDH1A1 (0.51) ERBB2EGFRPRMT5
SCHEMBL22927 0.86 ERBB2 (0.48) ERBB2EGFR
SCHEMBL24431 0.86 ERBB2 (0.48) ERBB2EGFR
SCHEMBL23189 0.83 IDH2 (0.57) CTSCIDH2FLT1FLT4KDR
SCHEMBL24629 0.83 IDH2 (0.57) CTSCIDH2FLT1FLT4KDR
SCHEMBL23997 0.83 ERBB2 (0.44) ERBB2EGFR

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 7 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
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 CTSC 1943/4885GRIN1 2315/4885GRIN2B 3735/4885

“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.