SCHEMBL3216619

SCHEMBL3216619

Cc1cc(-c2nc(-c3cc(C)c(O)c(C)c3)no2)cc(Cl)n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.60
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
NR1H4 Q96RI1 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
S1PR3 Q99500 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3211545 0.81 S1PR1 (0.52) S1PR1NPC1RAB9AS1PR3
SCHEMBL3215692 0.80 S1PR1 (0.53) S1PR1NPC1RAB9AGAAS1PR3
SCHEMBL1425094 0.79 S1PR1 (0.55) S1PR1NPC1RAB9ANR1H4GAA
SCHEMBL3277735 0.78 S1PR1 (0.53) S1PR1NPC1RAB9AGAAS1PR3
SCHEMBL1424935 0.77 S1PR1 (0.63) S1PR1NPC1RAB9ANR1H4GAA
SCHEMBL584034 0.77 L3MBTL1 (0.53) S1PR1NPC1RAB9ANR1H4NFKB1
SCHEMBL3275344 0.77 S1PR1 (0.44) S1PR1NPC1RAB9AS1PR3
SCHEMBL3276238 0.77 S1PR1 (0.40) S1PR1NPC1RAB9AGAAS1PR3
SCHEMBL3275732 0.76 S1PR1 (0.50) S1PR1NPC1RAB9AMAPTTP53
SCHEMBL3221502 0.76 S1PR1 (0.53) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP disclosed
US-8592460-B2 Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-26 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
CN-101511827-B Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-02-01 CN disclosed
US-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US disclosed
CN-101627034-A Amino-pyridine derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD 2010-01-13 CN disclosed
EP-2125797-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
CN-101511827-A Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD (CH) 2009-08-19 CN disclosed
EP-2069336-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 WO disclosed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 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-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents CD4, FCGRT, IL2 S1PR1 96/4885NPC1 4170/4885RAB9A 2575/4885
US-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR4 S1PR1 1/4885NPC1 1368/4885RAB9A 2455/4885

“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.