SCHEMBL14074698

SCHEMBL14074698

CC(=O)c1ncnc2ccsc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.60
ADORA2B P29275 2/20 0.60
AXL P30530 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
PIP4K2C Q8TBX8 1/20 0.41
ADORA1 P30542 6/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR2C P28335 1/20 0.40
PDPK1 O15530 1/20 0.40
PARP1 P09874 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL30095652 0.84 ADORA2A (0.54) ADORA2AADORA2BAXLMKNK1MKNK2
SCHEMBL29494878 0.82 ADORA2A (0.56) ADORA2AADORA2BAXLMKNK1MKNK2
SCHEMBL14074693 0.81 ADORA2A (0.56) ADORA2AADORA2BAXLMKNK1MKNK2
SCHEMBL12590823 0.74 ADORA2A (0.48) ADORA2AADORA2BAXLMKNK1MKNK2
SCHEMBL28762328 0.72 ADORA2A (0.47) ADORA2AADORA2BAXLMKNK1MKNK2
SCHEMBL10650329 0.71 ALDH1A1 (0.44) ADORA2AADORA2BAXLMKNK1MKNK2
SCHEMBL6642089 0.71 AXL (0.59) ADORA2AADORA2BAXLMKNK1MKNK2
SCHEMBL424626 0.71 AXL (0.59) ADORA2AADORA2BAXLMKNK1MKNK2
Trifluoroacetic Acid SCHEMBL31745019 0.69 ADORA2A (0.44) ADORA2AADORA2BAXLMKNK1MKNK2
SCHEMBL13229696 0.69 MEN1 (0.40) ADORA2AADORA2BAXLMKNK1MKNK2

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-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 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-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 ADORA2A 3168/4885ADORA2B 2346/4885AXL 4551/4885

“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.