SCHEMBL1449536

SCHEMBL1449536

Cc1nc(-c2sc(NC(=O)Cc3cccs3)nc2-c2ccccc2)no1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.78
ADORA1 P30542 10/20 0.78
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 3/20 0.53
LMNA P02545 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
DAPK3 O43293 1/20 0.53
PRKD3 O94806 1/20 0.53
NTRK1 P04629 1/20 0.53
FYN P06241 1/20 0.53
RET P07949 1/20 0.53
MET P08581 1/20 0.53
PIM1 P11309 1/20 0.53
FGFR1 P11362 1/20 0.53
PDGFRA P16234 1/20 0.53

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
SCHEMBL1449648 0.88 ADORA2A (1.00) ADORA2AADORA1SMN1; SMN2
SCHEMBL1450138 0.86 ADORA2A (0.80) ADORA2AADORA1HSD17B10ALDH1A1
SCHEMBL1450041 0.84 ADORA2A (0.78) ADORA2AADORA1SMN1; SMN2NPC1LMNA
SCHEMBL1449950 0.83 ADORA2A (1.00) ADORA2AADORA1HSD17B10MAPK1ALDH1A1
SCHEMBL1449711 0.83 ADORA2A (0.76) ADORA2AADORA1HSD17B10MAPK1ALDH1A1
SCHEMBL1449872 0.82 ADORA2A (1.00) ADORA2AADORA1LMNAMEN1KMT2A
SCHEMBL1449943 0.81 ADORA2A (0.73) ADORA2AADORA1NPC1HSD17B10RAB9A
SCHEMBL1449841 0.81 ADORA2A (1.00) ADORA2AADORA1SMN1; SMN2NPC1LMNA
Cyclopropane SCHEMBL15484598 0.81 ADORA2A (0.81) ADORA2AADORA1MEN1KMT2AMAPT
Cyclohexane SCHEMBL15484591 0.81 ADORA2A (0.81) ADORA2AADORA1MEN1KMT2AMAPT

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-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

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 7/4885SMN1; SMN2 1898/4885

“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.