SCHEMBL6700440

SCHEMBL6700440

CC(C)(N)CNc1nccnc1C#N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.36
PRKCH P24723 8/20 0.35
PRKCQ Q04759 7/20 0.35
PRKCE Q02156 5/20 0.35
PRKCD Q05655 5/20 0.35
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 0.35
PKN1 Q16512 3/20 0.35
PKN2 Q16513 3/20 0.35
PRKCA P17252 2/20 0.35
PRKCB P05771 2/20 0.35
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 1/20 0.35
SCD O00767 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CHEK1 O14757 1/20 0.31
NUDT1 P36639 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
SCHEMBL5500780 0.70 ALDH1A1 (0.41) PLCG1ROCK2ROCK1
SCHEMBL6700969 0.69 KDR (0.46)
SCHEMBL28077694 0.68 KDM4E (0.40) PRKCDROCK2PRKCASCDCHEK1
SCHEMBL3810001 0.67 PRKCH (0.43) PRKCHPRKCQPRKCEPRKCDROCK2
SCHEMBL17008796 0.66 HTT (0.38)
SCHEMBL3808178 0.66 POLB (0.45) PRKCHPRKCQPRKCEPRKCDROCK2
SCHEMBL2296005 0.65 ALDH1A1 (0.50) PRKCHPRKCQPRKCEPRKCDROCK2
SCHEMBL28089055 0.65 ALDH1A1 (0.42) HRH3
SCHEMBL646539 0.65 DPP4 (0.47)
SCHEMBL6702643 0.65 PRKCH (0.45) PRKCHPRKCQPRKCEPRKCDROCK2

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 PLCG1 3878/4885PRKCH 3207/4885PRKCQ 3809/4885

“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.