SCHEMBL415342

SCHEMBL415342

Cc1nnc(-c2cccc3ccccc23)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
MAPK13 O15264 1/20 0.42
GCGR P47871 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
DHFR P00374 1/20 0.41
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2A6 P11509 1/20 0.41
ALOX5 P09917 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
LMNA P02545 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
SCHEMBL186872 0.87 PI4KA (0.49) KDM4ECYP1A2CYP3A4CYP2C19PI4KA
SCHEMBL24317556 0.85 PI4KA (0.47) KDM4ECYP1A2CYP3A4CYP2C19PI4KA
SCHEMBL5636467 0.79 PI4KA (0.43) KDM4ECYP1A2CYP3A4CYP2C19PI4KA
SCHEMBL420008 0.77 DCUN1D1 (0.52) KDM4EALDH1A1NISCHHPGD
SCHEMBL416830 0.74 MGAM (0.49) KDM4ECYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL31305520 0.73 NPY5R (0.50) KDM4ECYP1A2CYP3A4CYP2C19PI4KA
SCHEMBL5128328 0.73 NPY5R (0.50) KDM4ECYP1A2CYP3A4CYP2C19PI4KA
SCHEMBL416819 0.73 TNKS (0.50) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL28898889 0.72 L3MBTL1 (0.44) KDM4EPI4KAPI4K2BPI4K2API4KB
SCHEMBL535444 0.72 PI4KA (0.44) KDM4ECYP1A2CYP3A4CYP2C19PI4KA

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 KDM4E 2054/4885CYP1A2 4831/4885CYP3A4 4693/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 KDM4E 2054/4885CYP1A2 4831/4885CYP3A4 4693/4885

“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.