SCHEMBL6161028

SCHEMBL6161028

COc1ccc(-c2sc(N)c(C(=O)OC(C)C)c2C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 7/20 0.70
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
LMNA P02545 1/20 0.59
GRM5 P41594 1/20 0.58
HSD17B10 Q99714 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TP53 P04637 4/20 0.50
CISD2 Q8N5K1 2/20 0.50
PRKCI P41743 1/20 0.46
PRKCZ Q05513 1/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL6159255 0.86 GRM6 (0.78) GRM6ALDH1A1HPGDGRM5MAPT
SCHEMBL6160814 0.83 GRM6 (1.00) GRM6ALDH1A1HPGDGRM5HSD17B10
SCHEMBL7207512 0.82 GRM6 (0.71) GRM6ALDH1A1HPGDGRM5HSD17B10
SCHEMBL6157860 0.74 TP53 (0.75) GRM6ALDH1A1HPGDLMNAGRM5
SCHEMBL12297930 0.73 ALDH1A1 (0.67) GRM6ALDH1A1HPGDLMNAGRM5
SCHEMBL10714368 0.73 GRM6 (1.00) GRM6ALDH1A1HPGDLMNAGRM5
SCHEMBL10489630 0.71 GRM6 (0.71) GRM6ALDH1A1HPGDGRM5HSD17B10
SCHEMBL14414355 0.70 GRM6 (0.77) GRM6ALDH1A1HPGDHSD17B10MAPT
SCHEMBL14485713 0.70 OPRD1 (0.56) GRM6ALDH1A1HPGDLMNAGRM5
SCHEMBL4217459 0.69 GRM6 (1.00) GRM6ALDH1A1HPGDGRM5HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849738-B2 Processes for the production of thienopyrimidine derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-02-01 US disclosed
US-20030055269-A1 Processes for the production of thienopyrimidine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-03-20 US disclosed
EP-1266898-A1 PROCESSES FOR THE PRODUCTION OF THIENOPYRIMIDINE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-12-18 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-20030055269-A1 Processes for the production of thienopyrimidine derivatives GNRHR, NR5A1, DHODH GRM6 136/4885ALDH1A1 1334/4885HPGD 430/4885

“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.