SCHEMBL1449335

SCHEMBL1449335

CCn1nnc(-c2sc(NC(=O)c3ccsc3)nc2-c2ccccc2)n1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.81
ADORA1 P30542 11/20 0.69
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
ADORA3 P0DMS8 4/20 0.46
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.43
GRM5 P41594 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL1449829 0.93 ADORA2A (0.69) ADORA2AADORA1CASP3SENP8SENP7
SCHEMBL1449910 0.88 ADORA2A (0.63) ADORA2AADORA1CASP3SENP8SENP7
SCHEMBL15484753 0.85 ADORA2A (0.67) ADORA2AADORA1ADORA3KMT2ASMN1; SMN2
SCHEMBL5508760 0.85 ADORA2A (0.82) ADORA2AADORA1KMT2AALDH1A1MEN1
SCHEMBL1449367 0.84 ADORA2A (0.83) ADORA2AADORA1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1449976 0.84 ADORA2A (0.80) ADORA2AADORA1ADORA3KMT2ASMN1; SMN2
Cyclohexane SCHEMBL15484642 0.83 ADORA2A (0.79) ADORA2AADORA1ADORA3SMN1; SMN2ALDH1A1
Cyclopropane SCHEMBL15484716 0.83 ADORA2A (0.79) ADORA2AADORA1ADORA3SMN1; SMN2ALDH1A1
SCHEMBL1449376 0.82 ADORA2A (0.77) ADORA2AADORA1KMT2ASMN1; SMN2NPC1
SCHEMBL1449509 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA3KMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 7/4885CASP3 3460/4885

“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.