SCHEMBL4550627

SCHEMBL4550627

COC(=O)C(C)(C)N1CCC(C(C)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPK14 Q16539 1/20 0.32
POLB P06746 2/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.32
DGAT1 O75907 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL31317258 0.81 SMN1; SMN2 (0.35) SMN1; SMN2TP53LMNAMAPK14DGAT1
SCHEMBL4546647 0.81 SMN1; SMN2 (0.37) SMN1; SMN2TP53LMNAALDH1A1MAPK14
SCHEMBL12539480 0.79 SMN1; SMN2 (0.34) SMN1; SMN2TP53MAPK14DGAT1SIGMAR1
SCHEMBL1514800 0.78 LMNA (0.36) SMN1; SMN2LMNAHPGD
SCHEMBL31317289 0.78 MAPK1 (0.33) SMN1; SMN2MAPK14DGAT1SIGMAR1
SCHEMBL31575340 0.76 DGAT1 (0.38) SMN1; SMN2DGAT1SIGMAR1
SCHEMBL14768489 0.76 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1POLBHPGD
SCHEMBL4550586 0.75 SIGMAR1 (0.36) SMN1; SMN2SIGMAR1
SCHEMBL4546606 0.73 SIGMAR1 (0.34) SMN1; SMN2SIGMAR1
SCHEMBL24961141 0.72 LMNA (0.32) SMN1; SMN2LMNA

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 7 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-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, 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 (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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB SMN1; SMN2 3309/4885TP53 816/4885LMNA 1940/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD SMN1; SMN2 2134/4885TP53 950/4885LMNA 3078/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD SMN1; SMN2 2248/4885TP53 930/4885LMNA 3229/4885

“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.