SCHEMBL2957113

SCHEMBL2957113

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
GPR119 Q8TDV5 6/20 0.35
PTPN11 Q06124 1/20 0.34
DPP4 P27487 3/20 0.34
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ACHE P22303 1/20 0.33
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
NSD2 O96028 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2957115 1.00 KCNH2 (0.42) KCNH2GPR119PTPN11DPP4CKS1B
SCHEMBL2957786 0.88 KCNH2 (0.43) KCNH2GPR119PTPN11CKS1BSKP1
SCHEMBL2957785 0.88 KCNH2 (0.43) KCNH2GPR119PTPN11CKS1BSKP1
SCHEMBL2962852 0.87 KCNH2 (0.46) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL2968373 0.87 KCNH2 (0.38) KCNH2PTPN11DPP4CKS1BSKP1
SCHEMBL2968372 0.87 KCNH2 (0.38) KCNH2PTPN11DPP4CKS1BSKP1
SCHEMBL2964447 0.84 KCNH2 (0.43) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL2964445 0.84 KCNH2 (0.43) KCNH2GPR119CKS1BSKP1SKP2
SCHEMBL13947782 0.83 KCNH2 (0.40) KCNH2GPR119PTPN11CKS1BSKP1
SCHEMBL2957432 0.81 KCNH2 (0.47) 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 9 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
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 753/4885PTPN11 4127/4885
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 2083/4885PTPN11 4324/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 KCNH2 2849/4885GPR119 14/4885PTPN11 282/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 KCNH2 106/4885GPR119 173/4885PTPN11 2335/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KCNH2 106/4885GPR119 173/4885PTPN11 2335/4885

“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.