SCHEMBL4772592

SCHEMBL4772592

CC(C)(O)CNc1cc[c]cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 3/20 0.36
PIM1 P11309 3/20 0.36
ROCK2 O75116 2/20 0.36
CDC7 O00311 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
TNF P01375 1/20 0.35
IDH2 P48735 3/20 0.34
EGLN2 Q96KS0 1/20 0.34
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
NUDT1 P36639 2/20 0.33
MAPK14 Q16539 2/20 0.31
BRAF P15056 1/20 0.31
KDR P35968 1/20 0.31
TNNI3K Q59H18 1/20 0.31

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
SCHEMBL4778659 0.86 NUDT1 (0.45) NUDT1
SCHEMBL4777917 0.83 IL1B (0.36) IL1BPIM1ROCK2NUDT1ROCK1
SCHEMBL12498392 0.79 IL1B (0.35) IL1B
SCHEMBL2067353 0.76
SCHEMBL991740 0.73 HCAR3 (0.44)
SCHEMBL182723 0.73 KDM4E (0.42) IL1BPIM1ROCK2CDK2GSK3B
SCHEMBL28294346 0.72 CNR2 (0.41) SCN9A
SCHEMBL4772740 0.72 HCAR3 (0.33) CLK4
SCHEMBL182666 0.71 ESR1 (0.47) MAPK14
SCHEMBL17700596 0.71 CXCR4 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A IL1B 2508/4885PIM1 3904/4885ROCK2 781/4885

“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.