SCHEMBL836435

SCHEMBL836435

c1cc(-c2cnc3cc(-c4ccc(N5CCOCC5)nc4)cnn23)cc(-n2cccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.47
ATR Q13535 1/20 0.44
ATRIP Q8WXE1 1/20 0.44
DYRK1A Q13627 1/20 0.42
FGFR3 P22607 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
JAK1 P23458 1/20 0.39
GRM2 Q14416 1/20 0.37
TDO2 P48775 1/20 0.36
FGFR1 P11362 1/20 0.36
MAP4K4 O95819 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL3025511 0.87 CNR2 (0.49) CNR2ATRATRIPFGFR3HTT
SCHEMBL837456 0.79 GABRG2 (0.44) DYRK1AFGFR3FGFR1
SCHEMBL837388 0.78 GRM5 (0.45) DYRK1AFGFR3FGFR1
SCHEMBL836098 0.78 FGFR3 (0.39) DYRK1AFGFR3GRM2FGFR1
SCHEMBL2337627 0.78 CNR2 (0.47) CNR2ATRDYRK1AFGFR3JAK1
SCHEMBL835778 0.76 FYN (0.47) FGFR3FGFR1
SCHEMBL3036632 0.76 FYN (0.52) FGFR3
SCHEMBL837066 0.74 CNR2 (0.53) CNR2TDO2MAP4K4
SCHEMBL2337615 0.71 CNR2 (0.45) CNR2ATRDYRK1AFGFR3TDO2
SCHEMBL835796 0.70 FYN (0.54) DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US claimed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP claimed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US claimed
EP-2183027-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-05-12 EP claimed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 WO claimed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2183027-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-05-12 EP disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 WO 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-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 CNR2 321/4885ATR 2138/4885ATRIP 3000/4885

“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.