SCHEMBL1449786

SCHEMBL1449786

CCn1nnc(-c2sc(NC(=O)CC3CCCC3)nc2-c2ccccc2)n1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.75
ADORA1 P30542 10/20 0.75
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
RORC P51449 2/20 0.43
KCNJ6 P48051 1/20 0.43
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
GAA P10253 1/20 0.41

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
SCHEMBL1449627 0.90 ADORA2A (0.61) ADORA2AADORA1SMN1; SMN2KDM4ENPC1
SCHEMBL1449821 0.90 ADORA2A (0.59) ADORA2AADORA1SMN1; SMN2KDM4ENPC1
SCHEMBL1449374 0.87 ADORA2A (0.91) ADORA2AADORA1KDM4EMEN1KMT2A
SCHEMBL1449367 0.86 ADORA2A (0.83) ADORA2AADORA1SMN1; SMN2NPC1RAB9A
SCHEMBL1449994 0.85 ADORA2A (1.00) ADORA2AADORA1MEN1KMT2AALDH1A1
Cyclopropane SCHEMBL15484716 0.85 ADORA2A (0.79) ADORA2AADORA1SMN1; SMN2KDM4EALDH1A1
Cyclohexane SCHEMBL15484642 0.85 ADORA2A (0.79) ADORA2AADORA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5508760 0.83 ADORA2A (0.82) ADORA2AADORA1KDM4EMEN1KMT2A
SCHEMBL1449376 0.81 ADORA2A (0.77) ADORA2AADORA1SMN1; SMN2NPC1RAB9A
SCHEMBL1450057 0.81 ADORA2A (0.70) ADORA2AADORA1SMN1; SMN2NPC1RAB9A

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 14 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
CN-101061115-A 2-acylaminothiazole derivatives LUNDBECK & CO AS H (DK) 2007-10-24 CN claimed
EP-1794157-B1 2-ACYLAMINOTHIAZOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-02-26 EP disclosed
EP-1794157-B1 2-ACYLAMINOTHIAZOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-02-26 EP 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-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
US-20090137642-A1 2-Acylaminothiazole Derivatives H. LUNDBECK A/S (DK) 2009-05-28 US disclosed
CN-101061115-A 2-acylaminothiazole derivatives LUNDBECK & CO AS H (DK) 2007-10-24 CN 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 7/4885SMN1; SMN2 1898/4885

“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.