SCHEMBL2272803

SCHEMBL2272803

CC(C)(C)C(=O)NCc1ccc2nc(Cl)nc(N3CCOCC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PTGES O14684 4/20 0.38
HDAC1 Q13547 1/20 0.37
ADORA2A P29274 1/20 0.37
PIK3CA P42336 3/20 0.36
PIK3CG P48736 3/20 0.36
PIK3CB P42338 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
MTOR P42345 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2303197 0.95 PIK3CD (0.40) PIK3CDSMN1; SMN2TDP1PTGESHDAC1
SCHEMBL2271370 0.86 PTGES (0.44) PIK3CDSMN1; SMN2PTGESHDAC1PIK3CA
SCHEMBL2276242 0.82 PIK3CD (0.43) PIK3CDSMN1; SMN2HDAC1PIK3CAPIK3CG
SCHEMBL2275660 0.79 PIK3CD (0.53) PIK3CDSMN1; SMN2TDP1PIK3CAPIK3CG
SCHEMBL12370236 0.79 SMN1; SMN2 (0.47) PIK3CDSMN1; SMN2PIK3CAPIK3CG
SCHEMBL2275124 0.78 SMN1; SMN2 (0.43) PIK3CDSMN1; SMN2HDAC1PIK3CAPIK3CG
SCHEMBL12396302 0.78 SMN1; SMN2 (0.40) PIK3CDSMN1; SMN2PIK3CAPIK3CG
SCHEMBL2270052 0.77 PIK3CA (0.43) PIK3CDSMN1; SMN2PIK3CAPIK3CGMTOR
SCHEMBL2274088 0.77 PIK3CA (0.41) PIK3CDSMN1; SMN2ADORA2APIK3CAPIK3CG
SCHEMBL2269694 0.77 SMN1; SMN2 (0.39) PIK3CDSMN1; SMN2PIK3CAPIK3CGPIK3CB

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-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-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-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
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
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
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 PIK3CD 2/4885SMN1; SMN2 3309/4885TDP1 695/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885SMN1; SMN2 3309/4885TDP1 695/4885

“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.