SCHEMBL3478086

SCHEMBL3478086

CCNCC(=O)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CTNNB1 P35222 4/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 3/20 0.50
WNT3A P56704 3/20 0.50
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NAPRT Q6XQN6 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
GRM4 Q14833 1/20 0.46
KMT2A Q03164 2/20 0.44
TLR7 Q9NYK1 1/20 0.44
ALOX15 P16050 1/20 0.43

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
SCHEMBL29689455 1.00 ALDH1A1 (0.52) ALDH1A1CTNNB1LMNAKDM4EWNT3A
Hydrochloric Acid SCHEMBL20524528 0.98 ALDH1A1 (0.50) ALDH1A1CTNNB1LMNAKDM4EWNT3A
Hydrochloric Acid SCHEMBL29777637 0.98 ALDH1A1 (0.50) ALDH1A1CTNNB1LMNAKDM4EWNT3A
SCHEMBL3422916 0.83 ALDH1A1 (0.50) ALDH1A1CTNNB1LMNAKDM4EWNT3A
SCHEMBL27751812 0.83 L3MBTL1 (0.53) ALDH1A1CTNNB1LMNAKDM4EWNT3A
SCHEMBL11325661 0.82 ALDH1A1 (0.55) ALDH1A1CTNNB1LMNAKDM4EWNT3A
Hydrochloric Acid SCHEMBL29777653 0.81 ALDH1A1 (0.53) ALDH1A1CTNNB1LMNAKDM4EWNT3A
SCHEMBL29433442 0.80 ALDH1A1 (0.61) ALDH1A1CTNNB1LMNAKDM4EWNT3A
SCHEMBL156496 0.80 ALDH1A1 (0.61) ALDH1A1CTNNB1LMNAKDM4EWNT3A
SCHEMBL253276 0.79 CES2 (0.64) ALDH1A1CTNNB1LMNAWNT3AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles CURZA GLOBAL, LLC (US) 2022-05-24 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-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-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 ALDH1A1 2467/4885CTNNB1 532/4885LMNA 1940/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 ALDH1A1 4028/4885CTNNB1 977/4885LMNA 3614/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD ALDH1A1 4438/4885CTNNB1 1219/4885LMNA 3078/4885
US-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles AADAC, PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 1217/4885CTNNB1 2586/4885LMNA 2193/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD ALDH1A1 4423/4885CTNNB1 1215/4885LMNA 3229/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB ALDH1A1 2467/4885CTNNB1 532/4885LMNA 1940/4885

“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.