SCHEMBL3734525

SCHEMBL3734525

C=CCOc1c(C)cc(-c2nnc(-c3cnc(CC(C)C)c(C)c3)o2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 4/20 0.37
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL27869684 0.84 S1PR1 (0.40) S1PR1S1PR3KDM4EALDH1A1HPGD
SCHEMBL3725756 0.82 S1PR1 (0.32) S1PR1S1PR3
SCHEMBL261019 0.81 S1PR1 (0.43) S1PR1S1PR3KDM4EALDH1A1HPGD
SCHEMBL3731289 0.80 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL3731291 0.80 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL2290023 0.78 S1PR1 (0.44) S1PR1S1PR3KDM4EALDH1A1HPGD
SCHEMBL3732311 0.72 S1PR1 (0.35) S1PR1S1PR3ALDH1A1POLBMAPT
SCHEMBL472102 0.69 PTGS1 (0.38) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL27869697 0.68 S1PR1 (0.42) S1PR1S1PR3KDM4EALDH1A1HPGD
SCHEMBL27775462 0.68 MEN1 (0.32) KDM4EALDH1A1HPGD

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 7 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
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
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 44/4885KDM4E 1110/4885

“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.