SCHEMBL9107871

SCHEMBL9107871

CNc1ncccc1-c1noc(C(Cc2ccccc2)c2cccc(Cl)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PTPN1 P18031 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36

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
SCHEMBL9109049 0.93 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPTPN1
SCHEMBL9110386 0.93 MAPT (0.44) PDE4APDE4BPDE4CPDE4DPTPN1
SCHEMBL9108511 0.93 MAPT (0.44) PDE4APDE4BPDE4CPDE4DPTPN1
SCHEMBL9105461 0.90 MAPT (0.40) PDE4APDE4BPDE4CPDE4DPTPN1
SCHEMBL9110631 0.90 TSHR (0.47) PTPN1TSHRMAPTPOLBKDM4E
SCHEMBL9109979 0.89 PTPN1 (0.43) PDE4APDE4BPDE4CPDE4DPTPN1
SCHEMBL9109153 0.83 GCK (0.41) TSHRMAPTSLC6A4
SCHEMBL9109208 0.82 GCK (0.41) SLC6A4
SCHEMBL9109831 0.81 PTPN1 (0.42) PTPN1TSHRMAPTPOLBKDM4E
SCHEMBL9109024 0.81 S1PR3 (0.43) PDE4APDE4BPDE4CPDE4DPTPN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646027-B1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP claimed
US-8697733-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-04-15 US claimed
US-20130338195-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. 2013-12-19 US claimed
EP-2646027-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP claimed
US-8399492-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-03-19 US claimed
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US claimed
WO-2012074719-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO claimed
EP-2646027-B1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
EP-2646027-B1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
US-8697733-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-04-15 US disclosed
US-20130338195-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. 2013-12-19 US disclosed
EP-2646027-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP disclosed
US-8492410-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-23 US disclosed
US-8399492-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-03-19 US disclosed
US-8399492-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-03-19 US disclosed
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
WO-2012074719-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
WO-2012074719-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20130338195-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 PDE4A 205/4885PDE4B 277/4885PDE4C 505/4885
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 PDE4A 205/4885PDE4B 277/4885PDE4C 505/4885

“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.