Sugi Predict

Sugi Predict / Compounds / SCHEMBL4550372

SCHEMBL4550372

SCHEMBL4550372

CCCN1CCN(C(C)(C)C(N)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ DRD2 P14416 4/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ DRD4 P21917 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL4550197 0.84 SMN1; SMN2 (0.47) SMN1; SMN2POLBLMNAMEN1KMT2A
SCHEMBL15807067 0.82 DRD2 (0.39) L3MBTL1DRD2SIGMAR1USP2SMN1; SMN2
SCHEMBL4546595 0.80 ARG1 (0.39) L3MBTL1USP2SMN1; SMN2LMNAMEN1
SCHEMBL27009192 0.78 LMNA (0.35) SMN1; SMN2LMNA
SCHEMBL26503826 0.78 HRH3 (0.33) L3MBTL1DRD2SIGMAR1USP2SMN1; SMN2
SCHEMBL11320805 0.78 DRD2 (0.35) L3MBTL1DRD2SIGMAR1USP2SMN1; SMN2
SCHEMBL4404464 0.77 CYP1A2 (0.41) SIGMAR1SMN1; SMN2HSD17B10LMNA
SCHEMBL27769695 0.77 KDM4E (0.34) SIGMAR1SMN1; SMN2LMNA
SCHEMBL3419927 0.76 PIK3CD (0.52) SMN1; SMN2LMNAHRH2HRH1
SCHEMBL13058118 0.75 PIK3CD (0.36) 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 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
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-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

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 L3MBTL1 3208/4885DRD2 3698/4885SIGMAR1 3405/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD L3MBTL1 4127/4885DRD2 3546/4885SIGMAR1 2414/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB L3MBTL1 3208/4885DRD2 3698/4885SIGMAR1 3405/4885

“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.