SCHEMBL4777917

SCHEMBL4777917

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 1/20 0.36
NUDT1 P36639 3/20 0.36
PRKCH P24723 7/20 0.33
PRKCQ Q04759 6/20 0.33
PRKCE Q02156 5/20 0.33
PRKCD Q05655 5/20 0.33
PRKCA P17252 2/20 0.33
PRKCB P05771 2/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
PKN1 Q16512 2/20 0.33
PKN2 Q16513 2/20 0.33
LATS1 O95835 2/20 0.33
KIT P10721 1/20 0.32
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
CDK7 P50613 1/20 0.32
KCNH2 Q12809 1/20 0.32
PIM3 Q86V86 1/20 0.32
HASPIN Q8TF76 1/20 0.32

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
SCHEMBL4772592 0.83 IL1B (0.36) IL1BNUDT1ROCK2ROCK1PIM1
SCHEMBL12498392 0.79 IL1B (0.35) IL1B
SCHEMBL2067353 0.76
SCHEMBL991740 0.73 HCAR3 (0.44)
SCHEMBL4777990 0.73 CHEK1 (0.37) PRKCHPRKCQPRKCEPRKCDPRKCA
SCHEMBL4772740 0.72 HCAR3 (0.33)
SCHEMBL6702893 0.71 CXCR4 (0.52)
SCHEMBL182666 0.71 ESR1 (0.47)
SCHEMBL4776276 0.70 HCAR3 (0.46) ROCK2PIM1

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 2508/4885NUDT1 2211/4885PRKCH 766/4885

“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.