SCHEMBL10566

SCHEMBL10566

CCCc1cn(CC)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 9/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
TSHR P16473 1/20 0.39
MTOR P42345 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CPB1 P15086 4/20 0.34
MAP3K5 Q99683 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33

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
SCHEMBL19628551 0.85 CPB2 (0.46) CPB2CYP2C9CYP2C19TSHRMTOR
SCHEMBL589342 0.83 CYP2C9 (0.60) CPB2CYP2C9CYP2C19CYP2E1CYP3A4
SCHEMBL1303332 0.83 CPB2 (0.39) CPB2CYP2C9CYP2C19CYP2E1CYP3A4
SCHEMBL5239518 0.83 CPB2 (0.39) CPB2CYP2C9CYP2C19CYP2E1CYP3A4
SCHEMBL3955613 0.82
SCHEMBL12363417 0.80 TSHR (0.43) CPB2CYP2C9CYP2C19CYP3A4TSHR
SCHEMBL12015010 0.80 CPB2 (0.40) CPB2CYP2C9CYP2C19CYP2E1CYP3A4
SCHEMBL1908661 0.80 CPB2 (0.43) CPB2CYP2C9CYP2C19CYP2E1CYP3A4
SCHEMBL6377614 0.80 CPB2 (0.43) CPB2CYP2C9CYP2C19CYP2E1CYP3A4
SCHEMBL6181814 0.79 CPB2 (0.40) CPB2CYP2C9CYP2C19CYP2E1CYP3A4

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
US-8637557-B2 Aminothiazole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-01-28 US disclosed
US-20120220767-A1 AMINOTHIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
EP-2357179-A1 Thiazol-2-yl organic compounds Novartis AG (CH) 2011-08-17 EP disclosed
WO-2011048936-A1 AMINOTHIAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2011-04-28 WO disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
WO-2007068473-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-06-21 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 (3 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-20120220767-A1 AMINOTHIAZOLE DERIVATIVE AKT3, AKT2, JAK1 CPB2 4266/4885CYP2C9 2083/4885CYP2C19 2446/4885
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma AKT3, PIK3R3, PIK3CD CPB2 2672/4885CYP2C9 3872/4885CYP2C19 2458/4885
US-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB CPB2 3413/4885CYP2C9 4027/4885CYP2C19 2479/4885

“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.