SCHEMBL4278140

SCHEMBL4278140

NC(=O)c1nc(-c2ccccc2)c(-c2nnn(CCc3ccccc3)n2)s1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.51
ADORA1 P30542 4/20 0.51
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRCP P42785 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
USP2 O75604 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
SCHEMBL4278156 0.88 ADORA2A (0.54) ADORA2AADORA1RAB9ACYP1A2CYP2C9
SCHEMBL4293192 0.85 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL1450021 0.83 ALDH1A1 (0.51) ADORA2AADORA1RAB9ACYP1A2CYP2C9
SCHEMBL4283731 0.83 ADORA2A (0.47) ADORA2AADORA1RAB9ACYP1A2CYP2C19
SCHEMBL1449595 0.78 ADORA2A (0.63) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL1450249 0.75 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL12127937 0.74 ALDH1A1 (0.56) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL15484655 0.72 ADORA2A (0.55) ADORA2AADORA1CYP1A2CYP2C9CYP2C19
SCHEMBL1450089 0.72 ADORA2A (0.67) ADORA2AADORA1RAB9AMEN1KMT2A
SCHEMBL1449788 0.70 ADORA2A (0.85) ADORA2AADORA1CYP1A2CYP2C9CYP2C19

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 7/4885RAB9A 2995/4885

“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.