SCHEMBL4142946

SCHEMBL4142946

CC(=O)c1ccc(Nc2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.44
MAPT P10636 5/20 0.44
P2RY12 Q9H244 3/20 0.43
HTT P42858 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
ABL1 P00519 2/20 0.40
YES1 P07947 2/20 0.40
NTRK1 P04629 1/20 0.40
PIM1 P11309 1/20 0.40
MAPK1 P28482 1/20 0.40
KDR P35968 1/20 0.40
HIPK1 Q86Z02 1/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL4129967 0.82 HTT (0.43) MAPTHTTADORA1MEN1ALDH1A1
SCHEMBL3450957 0.82 PTGS2 (0.47) MAPTHTTJAK2JAK3MEN1
Hydrochloric Acid SCHEMBL3450859 0.81 PTGS2 (0.46) MAPTHTTJAK2JAK3MEN1
SCHEMBL4363470 0.73 NPC1 (0.52) MAPTHTTADORA1MEN1ALDH1A1
SCHEMBL3451034 0.73 PIK3CA (0.51) MAPTJAK2JAK3HPGDPOLB
SCHEMBL13127052 0.72 PIK3CA (0.55) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL3452006 0.72 PIK3CA (0.53) MAPTHPGDPOLBLMNATP53
SCHEMBL3451728 0.72 MEN1 (0.48) MAPTHTTMEN1ALDH1A1KMT2A
SCHEMBL3452120 0.72 AURKA (0.48) JAK2JAK3MEN1KMT2A
SCHEMBL3451051 0.72 ALOX5 (0.47) MAPTHTTJAK2JAK3MEN1

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-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US claimed
EP-1805142-A4 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS INC (US) 2009-06-10 EP claimed
EP-2049107-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES Genfit (FR) 2009-04-22 EP claimed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO claimed
EP-1805142-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-07-11 EP claimed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
WO-2006034474-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
EP-2049107-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES Genfit (FR) 2009-04-22 EP disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO disclosed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 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 (1 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-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them LDLR, LRP6, PLPBP BRAF 1104/4885MAPT 4192/4885P2RY12 759/4885

“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.