SCHEMBL20445

SCHEMBL20445

COc1ccc(Nc2nc3c(-c4cccnc4)nccn3n2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
JAK2 O60674 4/20 0.44
PTK2 Q05397 4/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHB4 P54760 1/20 0.43
IGF1R P08069 1/20 0.43
GFER P55789 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
JAK3 P52333 1/20 0.42
FLT3 P36888 1/20 0.42
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
AURKA O14965 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41

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
SCHEMBL19811 0.91 EPHB4 (0.46) MAPTGAANPC1RAB9ALMNA
SCHEMBL21816 0.91 CHEK1 (0.49) MAPTGAAJAK2PTK2JAK3
SCHEMBL15207119 0.88 JAK2 (0.47) MAPTGAANPC1RAB9AJAK2
SCHEMBL22327 0.87 MAPT (0.43) MAPTGAANPC1RAB9AJAK2
SCHEMBL21121 0.87 SYK (0.50) MAPTGAANPC1RAB9AJAK2
SCHEMBL15208232 0.86 MAPT (0.41) MAPTGAANPC1RAB9APTK2
SCHEMBL21404 0.85 MAPT (0.42) MAPTGAANPC1RAB9AJAK2
SCHEMBL15207613 0.85 JAK2 (0.43) MAPTGAANPC1RAB9AJAK2
SCHEMBL31418 0.84 MAPT (0.41) MAPTGAANPC1RAB9ALMNA
SCHEMBL19845 0.84 AURKA (0.58) MAPTGAAJAK2PTK2LMNA

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
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
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 MAPT 4687/4885GAA 4105/4885NPC1 4605/4885

“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.