SCHEMBL2957124

SCHEMBL2957124

CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(C(=O)O)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
GPR119 Q8TDV5 9/20 0.38
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
ACHE P22303 1/20 0.36
PGGT1B P53609 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
RET P07949 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL2958379 0.89 KCNH2 (0.46) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL13217486 0.88 KCNH2 (0.56) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL2957432 0.87 KCNH2 (0.47) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL2962852 0.85 KCNH2 (0.46) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL2957785 0.84 KCNH2 (0.43) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL2957786 0.84 KCNH2 (0.43) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL13201018 0.82 KCNH2 (0.40) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL2957115 0.81 KCNH2 (0.42) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL2957113 0.81 KCNH2 (0.42) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL2964445 0.79 KCNH2 (0.43) KCNH2GPR119CKS1BSKP1SKP2

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 KCNH2 447/4885GPR119 753/4885CKS1B 2469/4885
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 KCNH2 77/4885GPR119 2083/4885CKS1B 144/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 KCNH2 2849/4885GPR119 14/4885CKS1B 3049/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 KCNH2 106/4885GPR119 173/4885CKS1B 103/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KCNH2 106/4885GPR119 173/4885CKS1B 103/4885

“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.