SCHEMBL3421686

SCHEMBL3421686

CC(C)CN1CCC(C2CCOCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.42
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL3423064 0.86 PIK3CD (0.53) PIK3CDALDH1A1USP2CYP2D6SMN1; SMN2
SCHEMBL14706856 0.85 PIK3CD (0.45) PIK3CDALDH1A1KDM4ETDP1CYP2D6
SCHEMBL3420067 0.84 PIK3CD (0.42) PIK3CDALDH1A1USP2KDM4ETDP1
SCHEMBL24755017 0.79 GNAI3 (0.48) PIK3CDALDH1A1KDM4ETDP1CYP2D6
SCHEMBL26436409 0.79 PIK3CD (0.41) PIK3CDKDM4ECYP2D6SMN1; SMN2HRH3
SCHEMBL200033 0.78 USP2 (0.58) PIK3CDALDH1A1USP2KDM4ECYP2D6
SCHEMBL23153725 0.78 PIK3CD (0.39) PIK3CDALDH1A1KDM4ETDP1CYP2D6
SCHEMBL19000000 0.77 ALDH1A1 (0.40) PIK3CDALDH1A1USP2KDM4ETDP1
SCHEMBL3419403 0.77 PIK3CD (0.40) PIK3CDALDH1A1USP2HRH3
SCHEMBL4550260 0.77 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2KMT2A

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 9 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-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-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 (4 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 2/4885ALDH1A1 2467/4885USP2 2985/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 PIK3CD 4/4885ALDH1A1 4028/4885USP2 1631/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD PIK3CD 3/4885ALDH1A1 4423/4885USP2 1301/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885ALDH1A1 2467/4885USP2 2985/4885

“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.