SCHEMBL4293199

SCHEMBL4293199

Cc1nc(-c2sc(C(N)=O)nc2-c2ccccc2)no1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.64
ADORA1 P30542 8/20 0.59
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
PLK1 P53350 1/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4278083 0.84 ADORA2A (0.47) ADORA2AADORA1MEN1KMT2AGAA
SCHEMBL1449968 0.80 ADORA2A (0.60) ADORA2AADORA1MEN1KMT2AGAA
SCHEMBL4285796 0.80 ADORA2A (0.64) ADORA2AADORA1MEN1KMT2AGAA
SCHEMBL12127937 0.79 ALDH1A1 (0.56) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL4287362 0.79 ADORA2A (0.62) ADORA2AADORA1MEN1KMT2AGAA
SCHEMBL1449872 0.78 ADORA2A (1.00) ADORA2AADORA1MEN1KMT2AGAA
SCHEMBL1449841 0.77 ADORA2A (1.00) ADORA2AADORA1KMT2AALDH1A1KDM4E
Cyclohexane SCHEMBL15484591 0.77 ADORA2A (0.81) ADORA2AADORA1MEN1KMT2AALDH1A1
Cyclopropane SCHEMBL15484598 0.77 ADORA2A (0.81) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL1449487 0.75 ADORA2A (0.78) ADORA2AADORA1NPC1RAB9APOLB

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 8 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-20090137642-A1 2-Acylaminothiazole Derivatives H. LUNDBECK A/S (DK) 2009-05-28 US claimed
EP-1794157-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H.Lundbeck A/S (DK) 2007-06-13 EP claimed
WO-2006032273-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-30 WO claimed
EP-1794157-B1 2-ACYLAMINOTHIAZOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-02-26 EP disclosed
US-20090137642-A1 2-Acylaminothiazole Derivatives H. LUNDBECK A/S (DK) 2009-05-28 US disclosed
EP-1794157-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H.Lundbeck A/S (DK) 2007-06-13 EP disclosed
WO-2006032273-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-30 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 (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 7/4885MEN1 3178/4885

“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.