SCHEMBL3420105

SCHEMBL3420105

CC(C)CN1CCN(C(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.47
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GFER P55789 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC2A1 P11166 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
COMT P21964 1/20 0.30

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
SCHEMBL22402428 0.92 PIK3CD (0.41) PIK3CDCYP2D6SMN1; SMN2
SCHEMBL24856302 0.90 PIK3CD (0.40) PIK3CDCYP2D6SMN1; SMN2SLC2A1
SCHEMBL19286478 0.86 PIK3CD (0.39) PIK3CDCYP2D6SMN1; SMN2
SCHEMBL20317543 0.82 CYP2D6 (0.37) PIK3CDCYP2D6SMN1; SMN2ALDH1A1
SCHEMBL23277989 0.82 DRD2 (0.39) PIK3CD
SCHEMBL23277808 0.82 PIK3CD (0.31) PIK3CDKDM4EALDH1A1GFERL3MBTL1
SCHEMBL24209746 0.82 PIK3CD (0.61) PIK3CDCYP2D6SMN1; SMN2L3MBTL1SLC2A1
SCHEMBL20438377 0.82 PIK3CD (0.61) PIK3CDCYP2D6SMN1; SMN2L3MBTL1SLC2A1
SCHEMBL2001262 0.82
SCHEMBL1621691 0.82 PIK3CD (0.61) PIK3CDCYP2D6SMN1; SMN2L3MBTL1SLC2A1

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-20240018134-A1 6-Substituted Pyridazine Compounds as SMARCA2 and/or SMARCA4 Degraders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2024-01-18 US disclosed
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF UNIV ROCKEFELLER (US) 2023-08-31 US disclosed
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF UNIV ROCKEFELLER (US) 2023-08-31 US disclosed
US-20220220069-A1 COMPOUND USED AS SIRT6 SMALL-MOLECULE ALLOSTERIC ACTIVATOR AND PHARMACEUTICAL COMPOSITION THEREOF SHANGHAI JIAOTONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2022-07-14 US disclosed
US-20220153722-A1 CDK2/5 DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-19 US disclosed
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF NATIONAL SCIENCE FOUNDATION 2022-04-21 US disclosed
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity SHENZHEN TARGETRX, INC. (CN) 2022-02-22 US disclosed
US-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-03-25 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-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 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-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
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 (13 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-20220220069-A1 COMPOUND USED AS SIRT6 SMALL-MOLECULE ALLOSTERIC ACTIVATOR AND PHARMACEUTICAL COMPOSITION THEREOF SIRT6, SIRT1, SIRT7 PIK3CD 1209/4885CYP2D6 1070/4885SMN1; SMN2 1848/4885
US-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY ALK, BRAF, MUSK PIK3CD 270/4885CYP2D6 627/4885SMN1; SMN2 641/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 PIK3CD 4/4885CYP2D6 2177/4885SMN1; SMN2 3259/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD PIK3CD 3/4885CYP2D6 2699/4885SMN1; SMN2 2134/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 PIK3CD 1472/4885CYP2D6 125/4885SMN1; SMN2 4474/4885
US-20240018134-A1 6-Substituted Pyridazine Compounds as SMARCA2 and/or SMARCA4 Degraders SMARCC1, SMARCC2, SMARCA4 PIK3CD 1516/4885CYP2D6 463/4885SMN1; SMN2 17/4885
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF LSS, NRDC, SPOUT1 PIK3CD 2141/4885CYP2D6 2157/4885SMN1; SMN2 4501/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP PIK3CD 2609/4885CYP2D6 4595/4885SMN1; SMN2 3180/4885
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF VIP, PTMS, IAPP PIK3CD 2609/4885CYP2D6 4595/4885SMN1; SMN2 3180/4885
US-20220153722-A1 CDK2/5 DEGRADERS AND USES THEREOF CDK2, CDK5, CDK5R1 PIK3CD 1312/4885CYP2D6 3355/4885SMN1; SMN2 948/4885
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity ALK, BRAF, MUSK PIK3CD 252/4885CYP2D6 669/4885SMN1; SMN2 693/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD PIK3CD 3/4885CYP2D6 2614/4885SMN1; SMN2 2248/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885CYP2D6 995/4885SMN1; 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.