SCHEMBL24348239

SCHEMBL24348239

COc1nc(F)c(N(C)CCOO)c2sc(NC(=O)C3CC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AHR P35869 1/20 0.42
NPC1 O15118 7/20 0.40
RAB9A P51151 6/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GSK3B P49841 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL24348240 0.93 MAPT (0.48) MAPTALDH1A1TSHRHSD17B10AHR
SCHEMBL29605979 0.73 ALDH1A1 (0.49) MAPTALDH1A1TSHRHSD17B10AHR
SCHEMBL24348830 0.72 MAPT (0.51) MAPTALDH1A1TSHRHSD17B10AHR
SCHEMBL24348798 0.66 ALDH1A1 (0.46) MAPTALDH1A1TSHRHSD17B10AHR
SCHEMBL30128134 0.63 ADORA2A (0.53) MAPTALDH1A1TSHRHSD17B10
SCHEMBL22063316 0.63 ADORA2A (0.53) MAPTALDH1A1TSHRHSD17B10
SCHEMBL30128074 0.63 ALDH1A1 (0.56) MAPTALDH1A1TSHRHSD17B10AHR
SCHEMBL22063895 0.61 ALDH1A1 (0.50) MAPTALDH1A1TSHRHSD17B10AHR
SCHEMBL24349594 0.61 MAPT (0.49) MAPTALDH1A1TSHRHSD17B10AHR
SCHEMBL29606347 0.61 MAPT (0.49) MAPTALDH1A1TSHRHSD17B10AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119412-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-04-21 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-20220119412-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 MAPT 4012/4885ALDH1A1 233/4885TSHR 139/4885

“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.