SCHEMBL2223756

SCHEMBL2223756

Nc1ccc(CN2CCCCC2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.70
HRH3 Q9Y5N1 1/20 0.64
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 2/20 0.55
ACACB O00763 1/20 0.50
ACHE P22303 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
GRIA2 P42262 1/20 0.44
LMNA P02545 1/20 0.43
KCNH2 Q12809 1/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
MAPK13 O15264 1/20 0.42
PDPK1 O15530 1/20 0.42
DYRK3 O43781 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42

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
SCHEMBL632892 0.96 L3MBTL1 (0.65) L3MBTL1HRH3MAPK1KMT2AALDH1A1
SCHEMBL11200681 0.87 L3MBTL1 (0.76) L3MBTL1HRH3MAPK1KMT2AACACB
SCHEMBL12387514 0.86 L3MBTL1 (0.66) L3MBTL1HRH3MAPK1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL2309757 0.85 L3MBTL1 (0.64) L3MBTL1HRH3MAPK1KMT2AACACB
SCHEMBL596252 0.84 L3MBTL1 (0.96) L3MBTL1HRH3KMT2AACACBACHE
SCHEMBL2222171 0.82 L3MBTL1 (0.65) L3MBTL1HRH3MAPK1KMT2AACACB
SCHEMBL3903106 0.82 L3MBTL1 (0.65) L3MBTL1HRH3MAPK1KMT2AACACB
SCHEMBL7269112 0.82 L3MBTL1 (1.00) L3MBTL1HRH3KMT2AALDH1A1ACACB
SCHEMBL16891466 0.82 L3MBTL1 (0.70) L3MBTL1HRH3KMT2AALDH1A1ACACB
SCHEMBL12947867 0.82 L3MBTL1 (0.70) L3MBTL1HRH3MAPK1KMT2AACACB

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-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-7166615-B2 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-7160901-B2 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-09 US disclosed
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US disclosed
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US disclosed
US-6638965-B2 Antitumor agents BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-10-28 US disclosed
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-10 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 (4 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 L3MBTL1 4152/4885HRH3 647/4885MAPK1 846/4885
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 L3MBTL1 4725/4885HRH3 3194/4885MAPK1 70/4885
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 L3MBTL1 4725/4885HRH3 3194/4885MAPK1 70/4885
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, CSNK1A1, MKI67 L3MBTL1 4342/4885HRH3 3286/4885MAPK1 133/4885

“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.