SCHEMBL6746072

SCHEMBL6746072

CN(C)c1ncnc2[nH]c(=O)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.44
CHEK1 O14757 2/20 0.44
AURKA O14965 2/20 0.44
PRKACA P17612 2/20 0.44
PDPK1 O15530 1/20 0.44
CHEK2 O96017 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
MARK3 P27448 1/20 0.44
RPS6KA3 P51812 1/20 0.44
PRKCD Q05655 1/20 0.44
MARK2 Q7KZI7 1/20 0.44
GDA Q9Y2T3 2/20 0.39
ACHE P22303 1/20 0.39
SLC6A5 Q9Y345 1/20 0.38
MAPT P10636 1/20 0.35
NUDT1 P36639 1/20 0.34
AKT2 P31751 1/20 0.33

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
SCHEMBL31268389 1.00 LRRK2 (0.44) LRRK2CHEK1AURKAPRKACAPDPK1
SCHEMBL13354614 0.75 GDA (0.47) LRRK2AURKAPRKACARPS6KA3GDA
SCHEMBL48258 0.72 ERAP1 (0.61) LRRK2CHEK1RPS6KA3GDAACHE
SCHEMBL29385750 0.72 ERAP1 (0.61) LRRK2CHEK1RPS6KA3GDAACHE
SCHEMBL38855 0.72 PDPK1 (0.42) LRRK2AURKAPRKACAPDPK1RPS6KA3
SCHEMBL12779523 0.71 GDA (0.42) LRRK2AURKAPRKACARPS6KA3GDA
SCHEMBL1002106 0.71 ACHE (0.42) CHEK1AURKAPRKACAGDAACHE
SCHEMBL19153464 0.70 SLC6A5 (0.41) PRKACAGDAACHESLC6A5MAPT
SCHEMBL30012894 0.70 PDPK1 (0.44) PRKACAPDPK1GDAACHESLC6A5
SCHEMBL30905809 0.68 LMNA (0.37) LRRK2PRKACAGDAACHESLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 LRRK2 4834/4885CHEK1 4574/4885AURKA 4467/4885

“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.