SCHEMBL2276245

SCHEMBL2276245

CN(CC(C)(C)O)c1ccc2nc(Cl)nc(N3CCOCC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.38
PIK3CD O00329 10/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP3A4 P08684 2/20 0.36
PIK3CG P48736 6/20 0.34
PIK3CA P42336 5/20 0.34
PIK3CB P42338 1/20 0.34
POLB P06746 1/20 0.34
SLC29A1 Q99808 1/20 0.34
TSHR P16473 1/20 0.33
NT5E P21589 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MTOR P42345 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL2276628 0.83 PIK3CD (0.42) SMN1; SMN2HDAC1PIK3CDKDM4EALDH1A1
SCHEMBL2276242 0.76 PIK3CD (0.43) SMN1; SMN2HDAC1PIK3CDKDM4EPIK3CG
SCHEMBL2276980 0.75 PIK3CD (0.67) PIK3CDCYP3A4PIK3CGPIK3CAPIK3CB
SCHEMBL2270379 0.75 PIK3CA (0.54) SMN1; SMN2PIK3CDKDM4EALDH1A1PIK3CG
SCHEMBL2531939 0.74 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16166910 0.74 SMN1; SMN2 (0.49) SMN1; SMN2PIK3CDKDM4EALDH1A1HPGD
SCHEMBL2275660 0.73 PIK3CD (0.53) SMN1; SMN2PIK3CDKDM4EALDH1A1HPGD
SCHEMBL12370236 0.73 SMN1; SMN2 (0.47) SMN1; SMN2PIK3CDKDM4EALDH1A1HPGD
SCHEMBL2274542 0.72 SMN1; SMN2 (0.43) SMN1; SMN2PIK3CDKDM4EHSD17B10PIK3CG
SCHEMBL2269314 0.72 SMN1; SMN2 (0.41) SMN1; SMN2HDAC1PIK3CDKDM4EALDH1A1

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 6 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-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
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

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 3309/4885HDAC1 2906/4885PIK3CD 2/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB SMN1; SMN2 3309/4885HDAC1 2906/4885PIK3CD 2/4885

“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.