SCHEMBL1449577

SCHEMBL1449577

Cc1noc(-c2sc(NC(=O)C(C)(C)C)nc2-c2ccccc2)n1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.78
ADORA1 P30542 11/20 0.78
CFTR P13569 2/20 0.47
XIAP P98170 1/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR2F2 P24468 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1449696 0.87 ADORA2A (1.00) ADORA2AADORA1XIAPLMNAMEN1
Cyclopropane SCHEMBL15484617 0.86 ADORA2A (0.81) ADORA2AADORA1XIAPMEN1ALDH1A1
Cyclohexane SCHEMBL15484623 0.86 ADORA2A (0.81) ADORA2AADORA1XIAPMEN1ALDH1A1
SCHEMBL1449668 0.86 ADORA2A (0.58) ADORA2AADORA1CFTRXIAPLMNA
SCHEMBL1449679 0.86 ADORA2A (0.73) ADORA2AADORA1XIAPLMNASMN1; SMN2
SCHEMBL1450236 0.85 ADORA2A (1.00) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL1449409 0.84 ADORA2A (0.80) ADORA2AADORA1ALDH1A1
SCHEMBL1449473 0.83 ADORA2A (1.00) ADORA2AADORA1XIAPLMNAPOLB
SCHEMBL2754021 0.83 XIAP (0.64) ADORA2AADORA1CFTRXIAPLMNA
SCHEMBL1449625 0.83 ADORA2A (1.00) ADORA2AADORA1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794157-B1 2-ACYLAMINOTHIAZOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-02-26 EP claimed
US-7910613-B2 2-acylaminothiazole derivatives H. LUNDBECK A/S (DK) 2011-03-22 US claimed
US-20090137642-A1 2-Acylaminothiazole Derivatives H. LUNDBECK A/S (DK) 2009-05-28 US claimed
EP-1794157-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H.Lundbeck A/S (DK) 2007-06-13 EP claimed
WO-2006032273-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-30 WO claimed
EP-1794157-B1 2-ACYLAMINOTHIAZOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-02-26 EP disclosed
EP-1794157-B1 2-ACYLAMINOTHIAZOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-02-26 EP disclosed
US-7910613-B2 2-acylaminothiazole derivatives H. LUNDBECK A/S (DK) 2011-03-22 US disclosed
US-7910613-B2 2-acylaminothiazole derivatives H. LUNDBECK A/S (DK) 2011-03-22 US disclosed
US-7910613-B2 2-acylaminothiazole derivatives H. LUNDBECK A/S (DK) 2011-03-22 US disclosed
US-20090137642-A1 2-Acylaminothiazole Derivatives H. LUNDBECK A/S (DK) 2009-05-28 US disclosed
US-20090137642-A1 2-Acylaminothiazole Derivatives H. LUNDBECK A/S (DK) 2009-05-28 US disclosed
US-20090137642-A1 2-Acylaminothiazole Derivatives H. LUNDBECK A/S (DK) 2009-05-28 US disclosed
EP-1794157-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H.Lundbeck A/S (DK) 2007-06-13 EP disclosed
WO-2006032273-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-30 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-20090137642-A1 2-Acylaminothiazole Derivatives ADORA2A, HTR2C, ADORA2B ADORA2A 1/4885ADORA1 7/4885CFTR 2560/4885

“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.