SCHEMBL6133384

SCHEMBL6133384

CC(C)n1nc(-c2sc(NC(=O)c3ccc(CCl)cc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.50
ADORA1 P30542 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 2/20 0.44
XIAP P98170 2/20 0.44
ADORA3 P0DMS8 7/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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 0.91 ADORA2A (0.60) ADORA2AADORA1SMN1; SMN2MAPTKMT2A
SCHEMBL6133349 0.90 ADORA2A (0.53) ADORA2AADORA1SMN1; SMN2MAPTKMT2A
SCHEMBL6133433 0.90 ADORA2A (0.48) ADORA2AADORA1SMN1; SMN2MAPTKMT2A
SCHEMBL6133816 0.90 HDAC1 (0.52) ADORA2AADORA1SMN1; SMN2MAPTKMT2A
SCHEMBL6134552 0.89 SMN1; SMN2 (0.49) ADORA2AADORA1SMN1; SMN2MAPTKMT2A
SCHEMBL6133110 0.88 SMN1; SMN2 (0.49) ADORA2AADORA1SMN1; SMN2MAPTKMT2A
SCHEMBL6133257 0.88 SMN1; SMN2 (0.56) ADORA2AADORA1SMN1; SMN2MAPTKMT2A
SCHEMBL6134298 0.88 ADORA2A (0.53) ADORA2AADORA1SMN1; SMN2MAPTKMT2A
SCHEMBL6133938 0.88 ALK (0.50) ADORA2AADORA1
SCHEMBL6133770 0.88 ADORA2A (0.46) ADORA2AADORA1SMN1; SMN2MAPTKMT2A

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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO 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 ADORA2A 635/4885ADORA1 243/4885SMN1; SMN2 3135/4885

“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.