SCHEMBL2275124

SCHEMBL2275124

CC(=O)OCc1ccc2nc(Cl)nc(N3CCOCC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
PIK3CD O00329 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CASP3 P42574 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
PIK3CA P42336 5/20 0.37
PIK3CG P48736 2/20 0.37
HDAC1 Q13547 1/20 0.37
PIK3R1 P27986 3/20 0.36
MTOR P42345 3/20 0.36
PRKDC P78527 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2275660 0.81 PIK3CD (0.53) SMN1; SMN2PIK3CDPOLBPIK3CAPIK3CG
SCHEMBL12370236 0.81 SMN1; SMN2 (0.47) SMN1; SMN2PIK3CDPOLBMAPTPIK3CA
SCHEMBL2274088 0.79 PIK3CA (0.41) SMN1; SMN2PIK3CDNPSR1MAPTPIK3CA
SCHEMBL2272865 0.79 SMN1; SMN2 (0.44) SMN1; SMN2PIK3CDPOLBMAPTPIK3CA
SCHEMBL2271077 0.79 SMN1; SMN2 (0.44) SMN1; SMN2PIK3CDPOLBMAPTPIK3CA
SCHEMBL14342885 0.79 NT5E (0.42) SMN1; SMN2PIK3CDNPSR1POLBPIK3CA
SCHEMBL12370256 0.78 SMN1; SMN2 (0.46) SMN1; SMN2PIK3CDPOLBMAPTTSHR
SCHEMBL2272803 0.78 PIK3CD (0.40) SMN1; SMN2PIK3CDNPSR1PIK3CAPIK3CG
SCHEMBL2271370 0.78 PTGES (0.44) SMN1; SMN2PIK3CDNPSR1MAPTTSHR
SCHEMBL2271455 0.78 PIK3CD (0.54) SMN1; SMN2PIK3CDPOLBPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
EP-2539337-A1 PYRIDO[3,2-D]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-01-02 EP disclosed
WO-2011101429-A1 PYRIDO[3,2-D]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
WO-2011101429-A1 PYRIDO[3,2-D]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 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 (2 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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB SMN1; SMN2 3309/4885PIK3CD 2/4885NPSR1 4646/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB SMN1; SMN2 3309/4885PIK3CD 2/4885NPSR1 4646/4885

“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.