SCHEMBL1040397

SCHEMBL1040397

CN1CCN(c2cccc(Oc3ncc(N)cc3Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.56
ADRA2C P18825 1/20 0.52
CTSC P53634 2/20 0.48
BRD4 O60885 3/20 0.48
HRH4 Q9H3N8 2/20 0.45
DHFR P00374 1/20 0.45
JAK2 O60674 1/20 0.44
BLK P51451 1/20 0.44
BMX P51813 1/20 0.44
JAK3 P52333 1/20 0.44
CCNK O75909 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
CDK9 P50750 1/20 0.43
CDK6 Q00534 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 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
SCHEMBL1040621 0.81 EGFR (0.61) EGFRCTSCMAPT
SCHEMBL16334422 0.78 DHFR (0.55) DHFRNPC1MAPT
SCHEMBL2599592 0.77 ADRA2C (0.49) EGFRADRA2CCTSCBRD4HRH4
SCHEMBL3656991 0.75 ADRA2C (0.47) EGFRADRA2CCTSCBRD4HRH4
SCHEMBL1036727 0.75 KMT2A (0.50) EGFRBRD4MAPT
SCHEMBL30127171 0.74 SMN1; SMN2 (0.56) NPC1MAPT
SCHEMBL27894494 0.74 ALDH1A1 (0.37) EGFRCTSCBRD4JAK2BLK
SCHEMBL1041059 0.74 CASP6 (0.53) EGFRMAPT
SCHEMBL1706688 0.73 EGFR (1.00) EGFRCTSCJAK2BLKBMX
Ammonia Solution, Strong SCHEMBL1039812 0.73 CASP6 (0.52) EGFRMAPT

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 8 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 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 EGFR 2614/4885ADRA2C 1065/4885CTSC 935/4885
US-20110312970-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA GPR119, INSR, PDXK EGFR 2614/4885ADRA2C 1065/4885CTSC 935/4885

“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.