SCHEMBL6133816

SCHEMBL6133816

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.52
ADORA2A P29274 6/20 0.48
ADORA1 P30542 4/20 0.48
HDAC3 O15379 1/20 0.46
KCNH2 Q12809 1/20 0.46
HDAC2 Q92769 1/20 0.46
ADORA3 P0DMS8 2/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL6133626 0.93 HDAC1 (0.45) HDAC1ADORA2AADORA1HDAC3KCNH2
SCHEMBL6133384 0.90 ADORA2A (0.50) ADORA2AADORA1ADORA3KDM4EMEN1
SCHEMBL6133303 0.89 ADORA2A (0.60) ADORA2AADORA1ADORA3MEN1MAPT
SCHEMBL6133433 0.88 ADORA2A (0.48) ADORA2AADORA1ADORA3KDM4EMEN1
SCHEMBL6133582 0.88 ADORA2A (0.43) HDAC1ADORA2AADORA1ADORA3KDM4E
SCHEMBL6133349 0.87 ADORA2A (0.53) ADORA2AADORA1ADORA3MEN1MAPT
SCHEMBL6134298 0.87 ADORA2A (0.53) ADORA2AADORA1ADORA3KDM4EMAPT
SCHEMBL6133257 0.87 SMN1; SMN2 (0.56) ADORA2AADORA1ADORA3KDM4EMEN1
SCHEMBL6133270 0.86 ADORA2A (0.49) HDAC1ADORA2AADORA1ADORA3KDM4E
SCHEMBL6133770 0.86 ADORA2A (0.46) ADORA2AADORA1ADORA3KDM4EMEN1

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 HDAC1 601/4885ADORA2A 635/4885ADORA1 243/4885

“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.