SCHEMBL3420003

SCHEMBL3420003

CC(C)CNCCNC(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 1/20 0.40
POLB P06746 1/20 0.39
CA3 P07451 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MMP1 P03956 1/20 0.35
MMP8 P22894 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
EPHX1 P07099 1/20 0.34
ANPEP P15144 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
CACNA1H O95180 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
SCHEMBL21992146 0.83 RIPK1 (0.40) CYP2C19CYP2D6CA3CA5ACA5B
SCHEMBL3421055 0.82 CA3 (0.60) CYP2C19CYP2D6POLBCA3CA5A
SCHEMBL8932181 0.81 CYP2D6 (0.54) CYP2C19CYP2D6POLBMMP1MMP8
SCHEMBL16316312 0.80 POLB (0.50) CYP2C19POLBCA3CA5ACA5B
SCHEMBL25359136 0.77 CYP2C19 (0.62) CYP2C19CYP2D6MMP1MMP8SCN1A
SCHEMBL3478019 0.77 CA3 (0.42) CYP2C19POLBCA3CA5ACA5B
SCHEMBL14471288 0.77 KDM4E (0.46) CYP2C19CYP2D6MMP1MMP8SCN1A
SCHEMBL12015001 0.77 ANPEP (0.44) POLBMMP8ANPEPNPC1RAB9A
SCHEMBL23840980 0.76 SMN1; SMN2 (0.47) POLBKDM4ETP53ALDH1A1
SCHEMBL9354709 0.76 MEN1 (0.51) EPHX1ANPEPALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS GLYCOMIMETICS, INC. (US) 2023-06-01 US disclosed
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 CYP2C19 828/4885CYP2D6 995/4885POLB 275/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 CYP2C19 2172/4885CYP2D6 2177/4885POLB 519/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD CYP2C19 2514/4885CYP2D6 2699/4885POLB 250/4885
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS FLT3, SELE, SELL CYP2C19 3823/4885CYP2D6 3721/4885POLB 2661/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD CYP2C19 2502/4885CYP2D6 2614/4885POLB 225/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB CYP2C19 828/4885CYP2D6 995/4885POLB 275/4885

“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.