SCHEMBL6133220

SCHEMBL6133220

COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(=O)n(C(C)C)n3)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.58
ADORA3 P0DMS8 10/20 0.57
MAPT P10636 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
USP2 O75604 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 1/20 0.53
ADORA2A P29274 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SCD O00767 1/20 0.49

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
SCHEMBL6133303 0.92 ADORA2A (0.60) ADORA1ADORA3MAPTMEN1KMT2A
SCHEMBL6134298 0.89 ADORA2A (0.53) ADORA1ADORA3MAPTKMT2AALDH1A1
SCHEMBL6133349 0.89 ADORA2A (0.53) ADORA1ADORA3MAPTMEN1KMT2A
SCHEMBL6133257 0.89 SMN1; SMN2 (0.56) ADORA1ADORA3MAPTMEN1KMT2A
SCHEMBL6133287 0.88 ADORA1 (0.49) ADORA1ADORA3MAPTKMT2AALDH1A1
SCHEMBL6133424 0.88 ADORA2A (0.51) ADORA1ADORA3MAPTKMT2AALDH1A1
SCHEMBL6133588 0.87 RORC (0.52) ADORA1MAPTMEN1KMT2AALDH1A1
SCHEMBL6133384 0.87 ADORA2A (0.50) ADORA1ADORA3MAPTMEN1KMT2A
SCHEMBL6133906 0.86 RAB9A (0.49) ADORA1ADORA3MAPTMEN1KMT2A
SCHEMBL6133159 0.85 ADORA2A (0.53) ADORA1ADORA3MAPTMEN1KMT2A

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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR ADORA1 243/4885ADORA3 257/4885MAPT 3008/4885

“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.