SCHEMBL6133566

SCHEMBL6133566

CC(C)n1nc(-c2sc(NC(=O)C3CCCCC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.52
ADORA2A P29274 7/20 0.52
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
ADORA3 P0DMS8 5/20 0.44
XIAP P98170 1/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC5A1 P13866 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL6133625 0.95 ADORA2A (0.56) ADORA1ADORA2AALDH1A1MAPTHTT
SCHEMBL6134330 0.86 ACHE (0.50) ADORA1ADORA2AACHE
SCHEMBL6134633 0.86 NPC1 (0.42) ADORA1ADORA2AKDM4EALDH1A1MAPT
SCHEMBL6133654 0.85 ALDH1A1 (0.54) ADORA1ADORA2AKDM4EALDH1A1LMNA
SCHEMBL6133840 0.85 PTGS2 (0.50) ADORA1ADORA2AKDM4EALDH1A1LMNA
SCHEMBL6135469 0.84 XIAP (0.55) ADORA1ADORA2AALDH1A1LMNAMAPT
SCHEMBL6133303 0.84 ADORA2A (0.60) ADORA1ADORA2AALDH1A1MAPTHPGD
SCHEMBL6133228 0.84 XIAP (0.48) ADORA1ADORA2AALDH1A1MAPTHTT
SCHEMBL6133651 0.83 NPC1 (0.51) ADORA1ADORA2AKDM4EALDH1A1LMNA
SCHEMBL6133869 0.83 CFTR (0.48) ADORA1ADORA2AALDH1A1LMNAMAPT

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 ADORA1 243/4885ADORA2A 635/4885KDM4E 3814/4885

“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.