SCHEMBL416642

SCHEMBL416642

Cc1nnc(-c2ccc(-c3ccccc3)cc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
RAF1 P04049 1/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPY5R Q15761 2/20 0.41
HPGDS O60760 1/20 0.41
PIN1 Q13526 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
NOX1 Q9Y5S8 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
SCHEMBL416435 0.96 POLB (0.60) POLBL3MBTL1NPC1RAB9AMAPK13
SCHEMBL17948203 0.84 NPC1 (0.57) POLBL3MBTL1NPC1RAB9AMAPK13
SCHEMBL419538 0.83 DHODH (0.45) POLBL3MBTL1NPC1RAB9AMAPK13
SCHEMBL417139 0.83 NISCH (0.45) POLBL3MBTL1NPC1RAB9AMAPK13
SCHEMBL384952 0.79 NPC1 (0.61) POLBL3MBTL1NPC1RAB9AMAPT
SCHEMBL2304276 0.79 POLB (0.39) POLBL3MBTL1NPC1RAB9AMAPT
SCHEMBL7119605 0.79 RPS6KA3 (0.45) POLBL3MBTL1NPC1RAB9AMAPK14
SCHEMBL823787 0.79 MAPK13 (0.43) POLBL3MBTL1NPC1RAB9AMAPK13
SCHEMBL415765 0.79 MAPK1 (0.47) POLBL3MBTL1NPC1RAB9AMAPK13
SCHEMBL30429928 0.77 ALDH1A1 (0.51) POLBL3MBTL1MAPK13MAPK12MAPK11

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 POLB 4824/4885L3MBTL1 2408/4885NPC1 3435/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 POLB 4824/4885L3MBTL1 2408/4885NPC1 3435/4885

“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.