SCHEMBL1449990

SCHEMBL1449990

Cn1nnc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.79
ADORA1 P30542 12/20 0.79
ADORA3 P0DMS8 9/20 0.64
ADORA2B P29275 3/20 0.64
HPGD P15428 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 2/20 0.62
KMT2A Q03164 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL1449509 0.89 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BHPGD
SCHEMBL15484634 0.84 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2BHPGD
SCHEMBL1449674 0.83 ADORA2A (0.62) ADORA2AADORA1ADORA3NPC1RAB9A
SCHEMBL1450036 0.83 ADORA2A (0.80) ADORA2AADORA1NFKB1NFKB2RELA
Cyclopropane SCHEMBL15484742 0.81 ADORA2A (0.60) ADORA2AADORA1HPGDMEN1MAPT
SCHEMBL1449910 0.81 ADORA2A (0.63) ADORA2AADORA1ADORA3HPGDNPC1
SCHEMBL1449918 0.81 ADORA2A (0.59) ADORA2AADORA1NPC1RAB9AMEN1
SCHEMBL1449591 0.81 ADORA2A (0.67) ADORA2AADORA1HPGDNPC1RAB9A
SCHEMBL1449393 0.81 ADORA2A (0.59) ADORA2AADORA1ADORA3NPC1RAB9A
SCHEMBL1449476 0.80 ADORA2A (0.78) ADORA2AADORA1ADORA3

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 7/4885ADORA3 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.