SCHEMBL4550257

SCHEMBL4550257

CCN1CCN(C(C)(C)C(=O)N(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL14477131 0.82 HSD11B1 (0.42) HSD11B1SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL3422709 0.80 PIK3CD (0.49) SMN1; SMN2ALDH1A1
SCHEMBL4550197 0.76 SMN1; SMN2 (0.47) HSD11B1SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL17010746 0.75 HSD11B1 (0.34) HSD11B1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6494216 0.74 SIGMAR1 (0.55) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12325467 0.74 ALDH1A1 (0.58) HSD11B1SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL3617365 0.72 SIGMAR1 (0.35)
SCHEMBL13888858 0.72 ALDH1A1 (0.40) HSD11B1SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL18034134 0.70 ALDH1A1 (0.39) HSD11B1SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL13060045 0.69 MAPT (0.50) HSD11B1KDM4EMAPT

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-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-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
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 HSD11B1 766/4885SMN1; SMN2 3309/4885ALDH1A1 2467/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 HSD11B1 321/4885SMN1; SMN2 3259/4885ALDH1A1 4028/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD HSD11B1 690/4885SMN1; SMN2 2248/4885ALDH1A1 4423/4885

“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.