SCHEMBL3450804

SCHEMBL3450804

COc1ccc(C(=O)CC(=O)c2cccnc2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
PLOD2 O00469 1/20 0.55
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
AGTR1 P30556 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PDE4D Q08499 1/20 0.50
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL29822736 0.84 NPC1 (0.59) MAPK1ALDH1A1CYP3A4HPGDMEN1
SCHEMBL28616902 0.84 NPC1 (0.59) MAPK1ALDH1A1CYP3A4HPGDMEN1
SCHEMBL19782935 0.81 KMT2A (0.55) MAPK1PLOD2ALDH1A1CYP1A2CYP3A4
SCHEMBL15968855 0.80 MEN1 (0.72) MAPK1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11608361 0.78 MAPK1 (0.48) MAPK1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL28623658 0.78 MAPT (0.64) MAPK1ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL29822688 0.78 MAPT (0.64) MAPK1ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL15395616 0.78 PLOD2 (0.69) MAPK1PLOD2ALDH1A1KMT2AUSP2
SCHEMBL11608356 0.77 THRB (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19PDE4D
SCHEMBL10320930 0.77 PLOD2 (0.89) MAPK1PLOD2ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US disclosed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO 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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS MAPK1 1540/4885PLOD2 67/4885ALDH1A1 3580/4885

“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.