SCHEMBL21121

SCHEMBL21121

COc1ccc(Nc2nc3c(-c4ccc(N)nc4)nccn3n2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.50
CD63 P08962 1/20 0.50
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
FLT3 P36888 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
EPHB4 P54760 1/20 0.41
IGF1R P08069 1/20 0.40
TP53 P04637 1/20 0.40
BCDIN3D Q7Z5W3 2/20 0.40
EIF2AK4 Q9P2K8 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 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
SCHEMBL15206594 0.92 SYK (0.59) SYKCD63MAPTGAAFLT3
SCHEMBL15207119 0.90 JAK2 (0.47) SYKCD63MAPTGAAFLT3
SCHEMBL22327 0.89 MAPT (0.43) SYKCD63MAPTGAAFLT3
SCHEMBL21404 0.87 MAPT (0.42) SYKCD63MAPTGAAFLT3
SCHEMBL20445 0.87 MAPT (0.45) MAPTGAAFLT3MEN1KMT2A
SCHEMBL31418 0.86 MAPT (0.41) SYKCD63MAPTGAAFLT3
SCHEMBL19811 0.86 EPHB4 (0.46) SYKMAPTGAAFLT3MEN1
SCHEMBL19495 0.84 JAK2 (0.49) SYKCD63MAPTGAALMNA
SCHEMBL15207893 0.84 SYK (0.43) SYKCD63EIF2AK4JAK2
SCHEMBL21901 0.83 MAPT (0.43) MAPTGAAFLT3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SYK 1/4885CD63 2804/4885MAPT 4687/4885

“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.