SCHEMBL1449976

SCHEMBL1449976

CCn1nnc(-c2sc(NC(=O)c3ccoc3)nc2-c2ccccc2)n1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.80
ADORA1 P30542 15/20 0.74
ADORA3 P0DMS8 6/20 0.45
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA2B P29275 2/20 0.43

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
SCHEMBL1450249 0.88 ADORA2A (0.63) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL15484578 0.85 ADORA2A (0.66) ADORA2AADORA1ADORA3ALDH1A1KMT2A
SCHEMBL1449509 0.85 ADORA2A (1.00) ADORA2AADORA1ADORA3NPC1ALDH1A1
SCHEMBL5508760 0.84 ADORA2A (0.82) ADORA2AADORA1ALDH1A1KMT2A
SCHEMBL1449335 0.84 ADORA2A (0.81) ADORA2AADORA1ADORA3NPC1ALDH1A1
SCHEMBL1449367 0.83 ADORA2A (0.83) ADORA2AADORA1NPC1ALDH1A1RAB9A
Cyclopropane SCHEMBL15484716 0.82 ADORA2A (0.79) ADORA2AADORA1ADORA3ALDH1A1SMN1; SMN2
Cyclohexane SCHEMBL15484642 0.82 ADORA2A (0.79) ADORA2AADORA1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL1449376 0.81 ADORA2A (0.77) ADORA2AADORA1NPC1ALDH1A1RAB9A
SCHEMBL1449994 0.81 ADORA2A (1.00) ADORA2AADORA1ALDH1A1KMT2A

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 6 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 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

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 7/4885ADORA3 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.