SCHEMBL4291882

SCHEMBL4291882

CC(C)(C)CC(=O)Nc1c(Cl)cc(C(=O)Nc2nccs2)cc1C(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.78
ADORA1 P30542 8/20 0.78
ADORA2B P29275 1/20 0.70
BRD4 O60885 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3C2B O00750 1/20 0.44
AURKA O14965 1/20 0.44
PIK3C2G O75747 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44
CCND3 P30281 1/20 0.44
MAPK4 P31152 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 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
SCHEMBL3192437 0.92 ADORA2A (0.88) ADORA2AADORA1ADORA2BBRD4MAPT
SCHEMBL4290840 0.88 ADORA2A (1.00) ADORA2AADORA1ADORA2BBRD4MAPT
SCHEMBL3201526 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA2BBRD4MAPT
SCHEMBL4295386 0.82 ADORA2A (0.77) ADORA2AADORA1ADORA2BMAPTSMN1; SMN2
SCHEMBL4295357 0.82 ADORA2A (0.85) ADORA2AADORA1ADORA2BBRD4MAPT
SCHEMBL3201177 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2BMAPTSMN1; SMN2
SCHEMBL4289701 0.79 NPC1 (0.52) ADORA2AADORA1ADORA2BBRD4MAPT
SCHEMBL18969623 0.76 ADORA2A (0.67) ADORA2AADORA1ADORA2B
SCHEMBL3194666 0.74 ADORA2A (0.75) ADORA2AADORA1ADORA2BSMN1; SMN2NPC1
SCHEMBL3194750 0.74 ADORA2A (1.00) ADORA2AADORA1ADORA2BMAPTSMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 US claimed
EP-1803455-A1 N-thiazol-2-yl-benzamide derivatives H.Lundbeck A/S (DK) 2007-07-04 EP claimed
EP-1682129-B1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2007-02-21 EP claimed
CN-1870996-A N-thiazol-2-yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2006-11-29 CN claimed
EP-1682129-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2006-07-26 EP claimed
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2006-07-13 US claimed
WO-2005039572-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2005-05-06 WO claimed
EP-1803455-A1 N-thiazol-2-yl-benzamide derivatives H.Lundbeck A/S (DK) 2007-07-04 EP disclosed
EP-1682129-B1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2007-02-21 EP disclosed
CN-1870996-A N-thiazol-2-yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2006-11-29 CN disclosed
EP-1682129-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2006-07-26 EP disclosed
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2006-07-13 US disclosed
WO-2005039572-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2005-05-06 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 (2 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-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 5/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 5/4885

“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.