SCHEMBL3421167

SCHEMBL3421167

CC(C)CN1CC(C(=O)N2CC(O)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.42
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
CHRNB2 P17787 5/20 0.35
CHRNA3 P32297 5/20 0.35
CHRNA4 P43681 5/20 0.35
CHRNB3 Q05901 4/20 0.35
CHRNA6 Q15825 4/20 0.35
CYP2D6 P10635 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DPP4 P27487 2/20 0.33
MC4R P32245 1/20 0.33
LMNA P02545 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA7 P36544 1/20 0.33
HSD11B1 P28845 2/20 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
SCHEMBL3421163 0.87 DPP4 (0.46) PIK3CDKDM4ESMN1; SMN2CYP2D6MEN1
SCHEMBL4550375 0.79 HSD11B1 (0.44) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL10309678 0.79 PIK3CD (0.39) PIK3CDKDM4ESMN1; SMN2POLBCYP2D6
SCHEMBL11225177 0.78
SCHEMBL12000479 0.75 PIK3CD (0.48) PIK3CDKDM4ESMN1; SMN2POLBCYP2D6
SCHEMBL4678480 0.75 POLB (0.53) PIK3CDPOLB
SCHEMBL16941603 0.73 PIK3CD (0.44) PIK3CDSMN1; SMN2POLBCYP2D6KMT2A
SCHEMBL26170509 0.71 PIK3CD (0.54) PIK3CDKDM4ESMN1; SMN2CYP2D6MEN1
SCHEMBL4546671 0.71 PIK3CD (0.45) PIK3CDSMN1; SMN2POLBCYP2D6LMNA
SCHEMBL3423029 0.70 BCHE (0.42) PIK3CDKDM4ESMN1; SMN2POLBCYP2D6

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
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
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8158625-B2 Bicyclic indole-pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-04-17 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
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE HOFFMAN-LA ROCHE INC. 2010-12-02 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 (5 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 2/4885KDM4E 4147/4885SMN1; SMN2 3309/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 PIK3CD 4/4885KDM4E 4504/4885SMN1; SMN2 3259/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD PIK3CD 3/4885KDM4E 4660/4885SMN1; SMN2 2134/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD PIK3CD 3/4885KDM4E 4647/4885SMN1; SMN2 2248/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885KDM4E 4147/4885SMN1; SMN2 3309/4885

“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.