SCHEMBL1036460

SCHEMBL1036460

CN1CCN(c2cccc(Oc3ncc(NS(=O)(=O)c4ccc(F)cc4F)cc3Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.46
CTSC P53634 2/20 0.44
EGFR P00533 7/20 0.43
JAK2 O60674 2/20 0.43
BLK P51451 2/20 0.43
BMX P51813 2/20 0.43
JAK3 P52333 2/20 0.43
PIK3CD O00329 2/20 0.42
PIK3CB P42338 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CG P48736 2/20 0.42
NUAK1 O60285 2/20 0.42
NUAK2 Q9H093 2/20 0.42
BRD4 O60885 1/20 0.42
PIK3R1 P27986 1/20 0.41
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
GUSB P08236 1/20 0.41
NTRK1 P04629 1/20 0.41
NTRK3 Q16288 1/20 0.41

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
SCHEMBL16335166 0.84 GUSB (0.44) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1036727 0.83 KMT2A (0.50) EGFRBRD4KDRGUSBFLT3
SCHEMBL1039346 0.81 PIK3CA (0.46) PIK3CAEGFRPIK3CDPIK3CBMTOR
SCHEMBL16334563 0.77 PIK3CA (0.46) PIK3CAJAK2PIK3CDPIK3CBBRD4
SCHEMBL3823799 0.75 PPARG (0.58) PIK3CAAXL
SCHEMBL3821633 0.75 PPARG (0.67)
SCHEMBL3827574 0.74 PPARG (0.49) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1040397 0.73 EGFR (0.56) CTSCEGFRJAK2BLKBMX
SCHEMBL16335037 0.71 HTT (0.46) GUSB
SCHEMBL1040621 0.71 EGFR (0.61) CTSCEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349862-B2 Pyridine derivatives for the treatment of metabolic disorders related to insulin resistance or hyperglycemia PIRAMAL HEALTHCARE LIMITED (IN) 2013-01-08 US claimed
CN-101547902-B pyridine derivatives for treatment of metabolic disorders related with insulin resistance and hyperglycemia PIRAMAL LIFE SCIENCES LTD 2012-10-31 CN claimed
US-20110312970-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-12-22 US claimed
US-8030324-B2 Pyridine derivatives for the treatment of metabolic disorders related to insulin resistance or hyperglycemia PIRAMAL LIFE SCIENCES LTD. (IN) 2011-10-04 US claimed
EP-2094663-B1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA PIRAMAL LIFE SCIENCES LTD (IN) 2011-01-26 EP claimed
US-20100022554-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA Piramal Enterprises Limited (IN) 2010-01-28 US claimed
EP-2094663-A2 PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA Piramal Life Sciences Limited (IN) 2009-09-02 EP claimed
WO-2008035305-A2 PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-03-27 WO claimed
US-8349862-B2 Pyridine derivatives for the treatment of metabolic disorders related to insulin resistance or hyperglycemia PIRAMAL HEALTHCARE LIMITED (IN) 2013-01-08 US disclosed
CN-101547902-B pyridine derivatives for treatment of metabolic disorders related with insulin resistance and hyperglycemia PIRAMAL LIFE SCIENCES LTD 2012-10-31 CN disclosed
US-20110312970-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-12-22 US disclosed
US-8030324-B2 Pyridine derivatives for the treatment of metabolic disorders related to insulin resistance or hyperglycemia PIRAMAL LIFE SCIENCES LTD. (IN) 2011-10-04 US disclosed
EP-2094663-B1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA PIRAMAL LIFE SCIENCES LTD (IN) 2011-01-26 EP disclosed
US-20100022554-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA Piramal Enterprises Limited (IN) 2010-01-28 US disclosed
EP-2094663-A2 PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA Piramal Life Sciences Limited (IN) 2009-09-02 EP disclosed
WO-2008035305-A2 PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-03-27 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 (2 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-20100022554-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA GPR119, INSR, PDXK PIK3CA 395/4885CTSC 935/4885EGFR 2614/4885
US-20110312970-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA GPR119, INSR, PDXK PIK3CA 395/4885CTSC 935/4885EGFR 2614/4885

“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.