SCHEMBL2962388

SCHEMBL2962388

Cn1ncc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
KCNH2 Q12809 1/20 0.45
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
SPR P35270 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIK3CD O00329 1/20 0.40
GBA1 P04062 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
NPC1 O15118 1/20 0.38
NR2F2 P24468 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2958190 0.81 THRB (0.47) LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2961094 0.79 ACHE (0.45) NAMPTCKS1BSKP1SKP2OPRM1
SCHEMBL13217366 0.76 HTR3A (0.44) LMNAALDH1A1
SCHEMBL13200965 0.76 KCNH2 (0.45) NAMPTKCNH2CKS1BSKP1SKP2
SCHEMBL13217675 0.76 KCNH2 (0.44) NAMPTKCNH2CKS1BSKP1SKP2
SCHEMBL5718929 0.76 MEN1 (0.60) NAMPTKCNH2CKS1BSKP1SKP2
SCHEMBL13217544 0.74 KCNH2 (0.48) KCNH2CKS1BSKP1SKP2OPRM1
SCHEMBL13217520 0.74 KCNH2 (0.43) NAMPTKCNH2CKS1BSKP1SKP2
SCHEMBL2957448 0.74 KCNH2 (0.45) NAMPTKCNH2CKS1BSKP1SKP2
SCHEMBL20767890 0.74 NAMPT (0.64) NAMPTKCNH2CKS1BSKP1SKP2

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 13 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-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-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 NAMPT 2426/4885KCNH2 447/4885CKS1B 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 NAMPT 3411/4885KCNH2 77/4885CKS1B 144/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 NAMPT 459/4885KCNH2 2849/4885CKS1B 3049/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 NAMPT 2551/4885KCNH2 106/4885CKS1B 103/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 NAMPT 2551/4885KCNH2 106/4885CKS1B 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.