SCHEMBL3729468

SCHEMBL3729468

Cc1cc(-c2nc(-c3ccc(CC(=O)NCCO)cc3)no2)cnc1CC(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.53
S1PR3 Q99500 8/20 0.53
HDAC4 P56524 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 2/20 0.41
PDE4B Q07343 1/20 0.41
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3732206 0.87 S1PR1 (0.51) S1PR1S1PR3HDAC4HDAC6KMT2A
SCHEMBL3727505 0.86 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL3212083 0.81 S1PR1 (0.50) S1PR1S1PR3HDAC4HDAC6KMT2A
SCHEMBL3728492 0.77 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL14273124 0.76 S1PR1 (0.43) S1PR1S1PR3
SCHEMBL13424962 0.73 S1PR1 (0.49) S1PR1S1PR3KMT2AMEN1MAPT
SCHEMBL3725961 0.73 S1PR1 (0.89) S1PR1S1PR3
SCHEMBL3730310 0.73 S1PR1 (0.89) S1PR1S1PR3
SCHEMBL3725965 0.73 S1PR1 (0.89) S1PR1S1PR3
SCHEMBL3730114 0.70 S1PR1 (0.84) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069335-B1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
EP-2069335-B1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
US-8288554-B2 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-8288554-B2 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-8288554-B2 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
CN-101522670-B Pyridin-3-yl derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD 2012-05-23 CN disclosed
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-01 US disclosed
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-01 US disclosed
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-01 US disclosed
CN-101522670-A Pyridin-3-yl derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
EP-2069335-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008029370-A1 PYRIDIN-3-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 (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-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents CD4, FCGRT, CD47 S1PR1 70/4885S1PR3 44/4885HDAC4 2676/4885

“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.