Sugi Predict

Sugi Predict / Compounds / SCHEMBL2954518

SCHEMBL2954518

SCHEMBL2954518

CC#CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nc2cnn(C)c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ BCDIN3D Q7Z5W3 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ DDB1 Q16531 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
SCHEMBL2952455 0.85 DPP4 (0.43) DPP4
SCHEMBL2952620 0.75 KCNH2 (0.46) LMNASMN1; SMN2MMP1MMP13ADAM17
SCHEMBL13217544 0.74 KCNH2 (0.48) LMNASMN1; SMN2DPP4GPR119
SCHEMBL2958190 0.72 THRB (0.47) THRBKDM4EMAPTTP53MEN1
SCHEMBL6411044 0.71 DPP4 (0.49) DPP4
SCHEMBL2959374 0.70 KCNH2 (0.40) DDB1CRBNDPP4GPR119
SCHEMBL2962657 0.69 DPP4 (0.37) DPP4
SCHEMBL13200951 0.68 KCNH2 (0.41) LMNASMN1; SMN2DPP4GPR119
SCHEMBL5275990 0.67 DPP4 (0.64) DPP4GPR119
SCHEMBL2967103 0.67 DPP4 (0.61) DPP4

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 8 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-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 — — 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 (3 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-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 THRB 4048/4885KDM4E 3658/4885MAPT 2594/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 THRB 3836/4885KDM4E 2115/4885MAPT 4084/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 THRB 3836/4885KDM4E 2115/4885MAPT 4084/4885

“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.