SCHEMBL2954596

SCHEMBL2954596

CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2cc[nH]c(=O)c21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.42
KCNH2 Q12809 1/20 0.40
JAK1 P23458 9/20 0.39
JAK2 O60674 8/20 0.39
MAP4K4 O95819 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
IGF1R P08069 1/20 0.36
CYP3A4 P08684 1/20 0.36
ACHE P22303 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL13217753 0.88 KCNH2 (0.47) KCNH2JAK1JAK2MAP4K4CKS1B
SCHEMBL2959374 0.85 KCNH2 (0.40) DPP4KCNH2MAP4K4CKS1BSKP1
SCHEMBL2956849 0.81 KCNH2 (0.41) DPP4KCNH2MAP4K4CKS1BSKP1
SCHEMBL2955911 0.81 POLB (0.45) DPP4KCNH2MAP4K4CKS1BSKP1
SCHEMBL2952455 0.80 DPP4 (0.43) DPP4KCNH2CKS1BSKP1SKP2
SCHEMBL13201006 0.80 DPP4 (0.55) DPP4
SCHEMBL5718830 0.79 DPP4 (0.40) DPP4KCNH2CKS1BSKP1SKP2
SCHEMBL2961332 0.79 KCNH2 (0.39) DPP4KCNH2CKS1BSKP1SKP2
Trifluoroacetic Acid SCHEMBL2954627 0.79 DPP4 (0.48) DPP4
SCHEMBL5718802 0.78 GAA (0.52) DPP4CYP3A4

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 11 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-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 2329/4885KCNH2 447/4885JAK1 2592/4885
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 4422/4885KCNH2 77/4885JAK1 2881/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885KCNH2 2849/4885JAK1 1403/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885KCNH2 106/4885JAK1 3137/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885KCNH2 106/4885JAK1 3137/4885

“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.