SCHEMBL417398

SCHEMBL417398

Cc1nnc(-c2cccc(Oc3ccccc3)c2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
CHEK2 O96017 1/20 0.44
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
GCGR P47871 1/20 0.43
MAOB P27338 1/20 0.43
P2RX3 P56373 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
NR1I2 O75469 1/20 0.41
VDR P11473 1/20 0.41
CYP2B6 P20813 1/20 0.41
AHR P35869 1/20 0.41
NR1I3 Q14994 1/20 0.41
PIN1 Q13526 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL419538 0.85 DHODH (0.45) DHODHCHEK2MAPK13MAPK12MAPK11
SCHEMBL416539 0.84 CYP1A2 (0.52) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL416435 0.79 POLB (0.60) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL416478 0.76 NR1I3 (0.50) MAPK14L3MBTL1NR1I3PIN1NPC1
SCHEMBL416642 0.76 POLB (0.56) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL416660 0.73 GAA (0.53) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL421229 0.73 MAPK14 (0.47) CHEK2MAPK14POLBCYP1A2CYP2C9
SCHEMBL419175 0.73 BRD4 (0.44) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL706418 0.73 DHODH (0.45) DHODHCHEK2MAPK13MAPK12MAPK11
SCHEMBL2879014 0.73 LTA4H (0.63) MAOBMAPTMEN1KMT2A

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 DHODH 4571/4885CHEK2 1241/4885MAPK13 2187/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 DHODH 4571/4885CHEK2 1241/4885MAPK13 2187/4885

“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.