SCHEMBL1449943

SCHEMBL1449943

CCCCCC(=O)Nc1nc(-c2ccccc2)c(-c2noc(C)n2)s1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.73
ADORA1 P30542 13/20 0.73
ALDH1A1 P00352 2/20 0.52
RORC P51449 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1450138 0.89 ADORA2A (0.80) ADORA2AADORA1ALDH1A1RORCCYP1A2
SCHEMBL1449648 0.85 ADORA2A (1.00) ADORA2AADORA1RORC
SCHEMBL1449619 0.84 ADORA2A (0.73) ADORA2AADORA1ALDH1A1RORCNPC1
SCHEMBL1449711 0.84 ADORA2A (0.76) ADORA2AADORA1ALDH1A1RORCHSD17B10
SCHEMBL1449950 0.84 ADORA2A (1.00) ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL1449872 0.83 ADORA2A (1.00) ADORA2AADORA1ALDH1A1CYP1A2CYP2C9
Cyclopropane SCHEMBL15484598 0.82 ADORA2A (0.81) ADORA2AADORA1ALDH1A1
Cyclohexane SCHEMBL15484591 0.82 ADORA2A (0.81) ADORA2AADORA1ALDH1A1
SCHEMBL1449841 0.82 ADORA2A (1.00) ADORA2AADORA1ALDH1A1NPC1RAB9A
SCHEMBL1449536 0.81 ADORA2A (0.78) ADORA2AADORA1ALDH1A1NPC1RAB9A

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 7 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-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 7/4885ALDH1A1 446/4885

“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.