SCHEMBL2960778

SCHEMBL2960778

CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2cnn(COCc3ccccc3)c(=O)c21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.51
CHRM1 P11229 5/20 0.47
ACHE P22303 1/20 0.40
TLR9 Q9NR96 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL2964266 0.90 ACHE (0.43) ACHETLR9TLR7CKS1BSKP1
SCHEMBL13200272 0.84 DPP4 (0.65) DPP4CHRM1
Trifluoroacetic Acid SCHEMBL2952261 0.83 DPP4 (0.58) DPP4CHRM1
SCHEMBL2952455 0.82 DPP4 (0.43) DPP4CHRM1CKS1BSKP1SKP2
SCHEMBL2965886 0.80 DPP4 (0.53) DPP4CHRM1CKS1BSKP1SKP2
SCHEMBL2965882 0.79 MEN1 (0.42) DPP4ACHETLR9TLR7MEN1
SCHEMBL5363807 0.78 DPP4 (0.46) DPP4CHRM1
SCHEMBL2961094 0.78 ACHE (0.45) ACHETLR9TLR7CKS1BSKP1
SCHEMBL2959374 0.76 KCNH2 (0.40) DPP4CHRM1CKS1BSKP1SKP2
SCHEMBL2952903 0.75 DPP4 (0.47) DPP4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 US 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 (5 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 DPP4 2329/4885CHRM1 7/4885ACHE 448/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 DPP4 4422/4885CHRM1 19/4885ACHE 3509/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885CHRM1 4756/4885ACHE 3109/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885ACHE 832/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885ACHE 832/4885

“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.