SCHEMBL31418

SCHEMBL31418

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
EPHB4 P54760 1/20 0.40
FLT3 P36888 1/20 0.39
PIK3CA P42336 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
IGF1R P08069 1/20 0.38
TP53 P04637 1/20 0.38
SYK P43405 2/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
SHMT2 P34897 1/20 0.38
RECQL P46063 1/20 0.37
PRKCQ Q04759 1/20 0.37
CD63 P08962 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
SCHEMBL15207711 0.92 PIK3CA (0.45) MAPTGAAFLT3PIK3CATP53
SCHEMBL15207119 0.87 JAK2 (0.47) MAPTGAANPC1RAB9AMEN1
SCHEMBL22327 0.86 MAPT (0.43) MAPTGAANPC1RAB9AMEN1
SCHEMBL21121 0.86 SYK (0.50) MAPTGAANPC1RAB9AMEN1
SCHEMBL15206787 0.86 JAK2 (0.48) MAPTGAAMEN1KMT2ALMNA
SCHEMBL15208232 0.85 MAPT (0.41) MAPTGAANPC1RAB9AMEN1
SCHEMBL21404 0.85 MAPT (0.42) MAPTGAANPC1RAB9AMEN1
SCHEMBL20445 0.84 MAPT (0.45) MAPTGAANPC1RAB9AMEN1
SCHEMBL15207034 0.84 JAK2 (0.40) MEN1KMT2ASYKEIF2AK4
SCHEMBL15207896 0.84 CHEK1 (0.40) MEN1KMT2ALMNAEPHB4PIK3CA

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 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.