SCHEMBL6645321

SCHEMBL6645321

COC(=O)CNc1c(C)nc2cnccn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.55
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 7/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 3/20 0.55
CASP1 P29466 2/20 0.55
CASP7 P55210 2/20 0.55
ALOX15 P16050 2/20 0.55
BRD4 O60885 2/20 0.52
BRAF P15056 1/20 0.48
MAPT P10636 6/20 0.39
LMNA P02545 1/20 0.39
SALL4 Q9UJQ4 1/20 0.39
GFER P55789 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 2/20 0.39
HDAC1 Q13547 1/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL6644642 0.86 BRAF (0.50) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6748602 0.79 KDM4E (0.49) GAAALDH1A1KDM4EHSD17B10BRD4
SCHEMBL16416651 0.79 GAA (0.67) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6643356 0.77 TRIM33 (0.55) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14969738 0.75 GAA (0.61) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5115034 0.71 GAA (0.47) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16416744 0.69 BRD4 (1.00) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1965048 0.69 MAPK1 (0.64) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1965016 0.68 KMT2A (0.44) GAAALDH1A1KDM4EHSD17B10BRAF
SCHEMBL7975453 0.68 KMT2A (0.59) GAAALDH1A1KDM4EHPGDHSD17B10

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-1218382-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-01-28 EP claimed
US-6638933-B2 Analgesics GRUENENTHAL GMBH (DE) 2003-10-28 US claimed
US-6638933-B2 Analgesics GRUENENTHAL GMBH (DE) 2003-10-28 US disclosed
US-20030018032-A1 Bicyclic imidazo-3-yl-amine derivatives GRUENENTHAL GMBH 2003-01-23 US 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-20030018032-A1 Bicyclic imidazo-3-yl-amine derivatives OPRK1, IPO4, GRIN3A GAA 3278/4885ALDH1A1 1244/4885KDM4E 2957/4885

“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.