SCHEMBL2709342

SCHEMBL2709342

CC(C)Oc1ccc2nc(S)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
PIK3CD O00329 2/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PI4KA P42356 2/20 0.45
PIK3CG P48736 2/20 0.45
PI4KB Q9UBF8 2/20 0.45
PIP5K1C O60331 1/20 0.45
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
ATAD2 Q6PL18 1/20 0.44
PDK1 Q15118 1/20 0.43
KMT2A Q03164 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL10425845 0.88 ATAD2 (0.45) CA2CYP3A4CYP1A2CYP2C19ATAD2
SCHEMBL5923359 0.81 CYP1A2 (0.65) CYP3A4CYP1A2CYP2C19PDK1KMT2A
SCHEMBL778394 0.81 KMT2A (0.63) CA2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL30944282 0.81 CYP3A4 (0.69) CA2PIK3CDPIK3CAPIK3CBPI4KA
Isobutane SCHEMBL8361660 0.80 KMT2A (0.62) CA2CYP3A4CYP1A2CYP2C19KMT2A
SCHEMBL346596 0.77 KMT2A (0.68) CA2CYP3A4CYP1A2CYP2C19KMT2A
SCHEMBL14160713 0.76 CA2 (0.45) CA2ATAD2KMT2ANPC1RAB9A
SCHEMBL10626206 0.75 LMNA (0.57) CA2CYP3A4CYP1A2CYP2C19KMT2A
SCHEMBL6691013 0.75 TSHR (0.52) CA2CYP3A4CYP1A2CYP2C19KMT2A
SCHEMBL9305939 0.75 RAB9A (0.65) CYP3A4CYP1A2CYP2C19KMT2ANPC1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
CN-1186322-C Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2005-01-26 CN disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
CN-1441779-A Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2003-09-10 CN disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 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 (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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 CA2 1487/4885PIK3CD 1244/4885PIK3CA 1039/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 CA2 1487/4885PIK3CD 1244/4885PIK3CA 1039/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 CA2 1494/4885PIK3CD 1993/4885PIK3CA 1523/4885

“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.