SCHEMBL3418400

SCHEMBL3418400

CC(C)CNCCn1cccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 3/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
FDPS P14324 1/20 0.35
MAPK1 P28482 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 2/20 0.33
TSHR P16473 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
DAO P14920 1/20 0.33
HDAC1 Q13547 1/20 0.33
NOS1 P29475 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
SCHEMBL22762039 0.90 L3MBTL1 (0.39) ALDH1A1CYP1A2CYP2C19KDM4EL3MBTL1
SCHEMBL3477001 0.83 KDM4E (0.38) ALDH1A1KDM4EPKMFDPSMAPK1
SCHEMBL20079252 0.78 ADRB2 (0.40) ALDH1A1KDM4EL3MBTL1FDPSTLR8
SCHEMBL11484608 0.75 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C19
SCHEMBL1455889 0.75
SCHEMBL278529 0.75 L3MBTL1 (0.48) ALDH1A1KDM4EL3MBTL1FDPSMAPK1
SCHEMBL22762248 0.74 MITF (0.41) ALDH1A1CYP1A2CYP2C19KDM4EPKM
SCHEMBL22267930 0.74 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19KDM4EPKM
SCHEMBL28655496 0.74 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19KDM4EPKM
SCHEMBL439752 0.72 L3MBTL1 (0.49) ALDH1A1KDM4EL3MBTL1FDPSTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO 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-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-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-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-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
EP-2146967-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES Serenex, Inc. (US) 2010-01-27 EP disclosed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 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 ALDH1A1 2467/4885CYP1A2 814/4885CYP2C19 828/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 ALDH1A1 4028/4885CYP1A2 592/4885CYP2C19 2172/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD ALDH1A1 4438/4885CYP1A2 743/4885CYP2C19 2514/4885
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives HSF1, HSP90AB1, TPH1 ALDH1A1 479/4885CYP1A2 102/4885CYP2C19 180/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD ALDH1A1 4423/4885CYP1A2 702/4885CYP2C19 2502/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB ALDH1A1 2467/4885CYP1A2 814/4885CYP2C19 828/4885

“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.