SCHEMBL2959516

SCHEMBL2959516

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
GPR119 Q8TDV5 7/20 0.37
DPP4 P27487 1/20 0.37
ATM Q13315 1/20 0.36
RET P07949 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
PGGT1B P53609 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
SCHEMBL2956517 0.87 KCNH2 (0.41) KCNH2GPR119ATMMEN1KMT2A
SCHEMBL2956820 0.86 KCNH2 (0.41) KCNH2GPR119ATMMEN1KMT2A
SCHEMBL2954841 0.85 KCNH2 (0.40) KCNH2GPR119ATMMEN1KMT2A
SCHEMBL2956844 0.85 KCNH2 (0.40) KCNH2GPR119ATMMEN1KMT2A
SCHEMBL2956304 0.85 KCNH2 (0.40) KCNH2GPR119ATMMEN1KMT2A
SCHEMBL2958379 0.85 KCNH2 (0.46) KCNH2GPR119ATMRETMEN1
SCHEMBL2965716 0.84 KCNH2 (0.40) KCNH2GPR119ATMMEN1KMT2A
SCHEMBL2959239 0.83 ATM (0.40) KCNH2GPR119ATMMEN1KMT2A
SCHEMBL2962659 0.82 ALDH1A1 (0.42) KCNH2GPR119ATMSMN1; SMN2CYP2C19
SCHEMBL2952662 0.82 KCNH2 (0.38) KCNH2GPR119ATMMEN1KMT2A

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 753/4885DPP4 2329/4885
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 2083/4885DPP4 4422/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 KCNH2 2849/4885GPR119 14/4885DPP4 1/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 KCNH2 106/4885GPR119 173/4885DPP4 1/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KCNH2 106/4885GPR119 173/4885DPP4 1/4885

“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.