SCHEMBL20002

SCHEMBL20002

Cc1cccc(Nc2nc3c(N)nc(CCCN(C)C)cn3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NOD1 Q9Y239 1/20 0.39
NOS1 P29475 4/20 0.39
NOS3 P29474 3/20 0.39
NOS2 P35228 3/20 0.39
EGFR P00533 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPT P10636 4/20 0.36
TP53 P04637 1/20 0.36
TNK2 Q07912 1/20 0.36
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCE Q02156 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CDK5 Q00535 1/20 0.35

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
SCHEMBL22265 0.90 NOS1 (0.44) NOS1NOS3NOS2TNK2KIT
SCHEMBL19498 0.89 TNK2 (0.41) NPC1RAB9ANOS1NOS3NOS2
SCHEMBL19615 0.87 IDH2 (0.44) RAB9AMAPTPRKCALMNASMN1; SMN2
SCHEMBL21784 0.86 SLC2A1 (0.42) SLC2A1NPC1RAB9ANOD1EGFR
SCHEMBL19884 0.86 MAPT (0.41) SLC2A1NPC1RAB9ANOD1NFKB1
SCHEMBL19191 0.83 NOS3 (0.44) SLC2A1NOS1NOS3NOS2EGFR
SCHEMBL18860 0.81 MAPT (0.45) NPC1RAB9AEGFRMAPTTP53
SCHEMBL20001 0.77 TNK2 (0.41) SLC2A1NPC1RAB9ANOD1EGFR
SCHEMBL15207754 0.75 KDR (0.34) MAPTKDRSYK
SCHEMBL20644 0.74 KCNH3 (0.44) MAPTLMNAUSP2

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 6 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
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-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 SLC2A1 4021/4885NPC1 4605/4885RAB9A 3444/4885

“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.