SCHEMBL1449367

SCHEMBL1449367

CCC(=O)Nc1nc(-c2ccccc2)c(-c2nnn(CC)n2)s1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.83
ADORA1 P30542 11/20 0.83
RORC P51449 1/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
XIAP P98170 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1450057 0.92 ADORA2A (0.70) ADORA2AADORA1RORCNPC1HTT
SCHEMBL5508760 0.90 ADORA2A (0.82) ADORA2AADORA1RORCALDH1A1HSD17B10
SCHEMBL1449591 0.89 ADORA2A (0.67) ADORA2AADORA1RORCNPC1HTT
SCHEMBL1449994 0.89 ADORA2A (1.00) ADORA2AADORA1ALDH1A1HSD17B10XIAP
Cyclopropane SCHEMBL15484716 0.88 ADORA2A (0.79) ADORA2AADORA1HTTSMN1; SMN2ALDH1A1
Cyclohexane SCHEMBL15484642 0.88 ADORA2A (0.79) ADORA2AADORA1HTTSMN1; SMN2ALDH1A1
SCHEMBL1449376 0.87 ADORA2A (0.77) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL1449786 0.86 ADORA2A (0.75) ADORA2AADORA1RORCNPC1RAB9A
SCHEMBL1449374 0.84 ADORA2A (0.91) ADORA2AADORA1RORCHTTALDH1A1
SCHEMBL1449335 0.84 ADORA2A (0.81) ADORA2AADORA1NPC1RAB9ASMN1; SMN2

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-20090137642-A1 2-Acylaminothiazole Derivatives H. LUNDBECK A/S (DK) 2009-05-28 US claimed
CN-101061115-A 2-acylaminothiazole derivatives LUNDBECK & CO AS H (DK) 2007-10-24 CN 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
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
CN-101061115-A 2-acylaminothiazole derivatives LUNDBECK & CO AS H (DK) 2007-10-24 CN 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 7/4885RORC 1208/4885

“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.