SCHEMBL5198533

SCHEMBL5198533

Cc1cccc(-c2nc(C(C)C)[nH]c2-c2cccc(-c3cnn(C)c3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 10/20 0.43
KDM4E B2RXH2 1/20 0.43
MAP3K5 Q99683 2/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
DYRK1A Q13627 1/20 0.42
HIPK1 Q86Z02 1/20 0.42
DYRK2 Q92630 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
HIPK3 Q9H422 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
IRAK1 P51617 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
TGFBR1 P36897 3/20 0.40
MAPK14 Q16539 1/20 0.40
PIM1 P11309 1/20 0.40
MAPT P10636 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
SCHEMBL5198507 0.86 TGFBR1 (0.49) PFKFB3TGFBR1MAPK14PIM1
SCHEMBL5199910 0.77 RXRA (0.46) KDM4EMAP3K5TGFBR1MAPK14MAPT
SCHEMBL5199410 0.77 POLB (0.47) TGFBR1MAPT
SCHEMBL5197863 0.77 CA2 (0.46) KDM4ETGFBR1
SCHEMBL5226169 0.77 TGFBR1 (0.46) KDM4ETGFBR1MAPK14
SCHEMBL5227673 0.76 TLR8 (0.50) KDM4EIRAK4TGFBR1MAPK14
SCHEMBL5198563 0.76 TGFBR1 (0.46) PFKFB3KDM4EMAP3K5TGFBR1MAPK14
SCHEMBL5200079 0.75 TGFBR1 (0.53) KDM4ETGFBR1MAPK14
SCHEMBL5199960 0.74 TGFBR1 (0.42) KDM4ETGFBR1
SCHEMBL5200756 0.74 TGFBR1 (0.49) CLK2CLK4TGFBR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP 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-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 PFKFB3 4502/4885KDM4E 806/4885MAP3K5 4338/4885

“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.