SCHEMBL1190671

SCHEMBL1190671

N#Cc1cnc2c(c1)NCCO2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.39
GRM5 P41594 3/20 0.38
MAP4K1 Q92918 6/20 0.37
GRM2 Q14416 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGDS O60760 1/20 0.33
FEN1 P39748 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX5AP P20292 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL21384956 0.85 GRM5 (0.38) TBK1GRM5MAP4K1ALDH1A1GAA
SCHEMBL1191411 0.82 MAP4K1 (0.47) TBK1GRM5MAP4K1GRM2FEN1
SCHEMBL19041889 0.77 MAP4K1 (0.39) TBK1GRM5MAP4K1ALDH1A1GAA
SCHEMBL7092502 0.77 HPGDS (0.40) TBK1GRM5MAP4K1GRM2HTT
SCHEMBL7094509 0.76 HPGDS (0.40) TBK1GRM5MAP4K1GRM2ALDH1A1
SCHEMBL24723495 0.76 MAP4K1 (0.38) TBK1GRM5MAP4K1ALDH1A1GAA
SCHEMBL17630687 0.76 MAP4K1 (0.38) TBK1GRM5MAP4K1ALDH1A1GAA
SCHEMBL752154 0.76 MAP4K1 (0.38) GRM5MAP4K1ALDH1A1GAAMAPT
SCHEMBL1191469 0.76 ALDH1A1 (0.50) GRM5MAP4K1ALDH1A1GAAMAPT
SCHEMBL34470940 0.76 MAP4K1 (0.38) GRM5MAP4K1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266989-B1 HETEROCYCLIC DERIVATIVES C & C RES LAB (KR) 2015-09-02 EP disclosed
US-8394792-B2 Heterocyclic derivatives C&C RESEARCH LABORATORIES (KR) 2013-03-12 US disclosed
US-20110028467-A1 HETEROCYCLIC DERIVATIVES C&C RESEARCH LABORATORIES (KR) 2011-02-03 US disclosed
EP-2266989-A2 HETEROCYCLIC DERIVATIVES C&c Research Laboratories (KR) 2010-12-29 EP 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-20110028467-A1 HETEROCYCLIC DERIVATIVES XDH, NUDT1, UGDH TBK1 2425/4885GRM5 1799/4885MAP4K1 3634/4885

“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.