SCHEMBL1449918

SCHEMBL1449918

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.59
XIAP P98170 6/20 0.57
ADORA1 P30542 8/20 0.56
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1449674 0.88 ADORA2A (0.62) ADORA2AXIAPADORA1MEN1KMT2A
SCHEMBL1450781 0.88 ADORA2A (0.66) ADORA2AXIAPADORA1MEN1KMT2A
SCHEMBL1449376 0.87 ADORA2A (0.77) ADORA2AXIAPADORA1MEN1KMT2A
SCHEMBL1449677 0.86 ADORA2A (0.64) ADORA2AXIAPADORA1MEN1KMT2A
SCHEMBL1450399 0.86 ADORA2A (0.63) ADORA2AXIAPADORA1MEN1KMT2A
SCHEMBL1449595 0.86 ADORA2A (0.63) ADORA2AXIAPADORA1MEN1KMT2A
Cyclopropane SCHEMBL15484742 0.86 ADORA2A (0.60) ADORA2AXIAPADORA1MEN1KMT2A
SCHEMBL1449591 0.85 ADORA2A (0.67) ADORA2AXIAPADORA1NPC1RAB9A
SCHEMBL1449393 0.85 ADORA2A (0.59) ADORA2AXIAPADORA1MEN1KMT2A
SCHEMBL1449476 0.84 ADORA2A (0.78) ADORA2AXIAPADORA1

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 13 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-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 1/4885XIAP 3827/4885ADORA1 7/4885

“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.