SCHEMBL419175

SCHEMBL419175

Cc1nnc(-c2ccccc2Oc2ccccc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.44
MAPK13 O15264 1/20 0.41
GCGR P47871 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
PTGS2 P35354 1/20 0.41
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ELANE P08246 1/20 0.39

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
SCHEMBL416493 0.81 DCUN1D1 (0.54) NCOA1LMNAGAAKMT2A
SCHEMBL16481674 0.77 PDE5A (0.52)
SCHEMBL419538 0.77 DHODH (0.45) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL16067353 0.76 POLB (0.50)
SCHEMBL16481640 0.75 PDE5A (0.54) LMNAKMT2A
SCHEMBL417398 0.73 DHODH (0.47) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL2203391 0.72 TSHR (0.58) BRD4PTGS2NCOA1NCOA3LMNA
SCHEMBL1528147 0.72 IDO1 (0.53)
SCHEMBL6406032 0.70 NCOA1 (0.55) BRD4PTGS2NCOA1NCOA3LMNA
SCHEMBL28856671 0.70 BRD4 (0.52) BRD4PTGS2NCOA1NCOA3

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-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US claimed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US claimed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US 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-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 BRD4 1964/4885MAPK13 2187/4885GCGR 2394/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 BRD4 1964/4885MAPK13 2187/4885GCGR 2394/4885

“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.