SCHEMBL2968372

SCHEMBL2968372

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
PTPN11 Q06124 1/20 0.35
PARP14 Q460N5 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
CKS1B P61024 2/20 0.33
SKP1 P63208 2/20 0.33
SKP2 Q13309 2/20 0.33
PARP1 P09874 1/20 0.33
ACHE P22303 2/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
DPP4 P27487 3/20 0.32
MAP4K4 O95819 1/20 0.32
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
ACKR3 P25106 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 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
SCHEMBL2968373 1.00 KCNH2 (0.38) KCNH2PTPN11PARP14TBK1CKS1B
SCHEMBL13217752 0.88 KCNH2 (0.45) KCNH2PTPN11PARP14TBK1CKS1B
SCHEMBL2957115 0.87 KCNH2 (0.42) KCNH2PTPN11CKS1BSKP1SKP2
SCHEMBL2957113 0.87 KCNH2 (0.42) KCNH2PTPN11CKS1BSKP1SKP2
SCHEMBL2968011 0.78 KCNH2 (0.40) KCNH2PTPN11CKS1BSKP1SKP2
SCHEMBL2958599 0.76 KCNH2 (0.39) KCNH2PTPN11CKS1BSKP1SKP2
SCHEMBL2957142 0.76 KCNH2 (0.39) KCNH2PTPN11CKS1BSKP1SKP2
SCHEMBL2962852 0.75 KCNH2 (0.46) KCNH2CKS1BSKP1SKP2ACHE
SCHEMBL2954841 0.75 KCNH2 (0.40) KCNH2CKS1BSKP1SKP2MEN1
SCHEMBL13199956 0.75 PARP1 (0.33) CKS1BSKP1SKP2PARP1

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 10 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-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 447/4885PTPN11 4127/4885PARP14 4226/4885
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 77/4885PTPN11 4324/4885PARP14 2639/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 KCNH2 2849/4885PTPN11 282/4885PARP14 475/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 KCNH2 106/4885PTPN11 2335/4885PARP14 1643/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KCNH2 106/4885PTPN11 2335/4885PARP14 1643/4885

“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.