SCHEMBL2965812

SCHEMBL2965812

CC#CCn1c(Cl)nc2c1c(=O)n(CCc1ccccc1)c(=O)n2COC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HIF1A Q16665 1/20 0.42
DPP4 P27487 4/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 1/20 0.38
ADORA1 P30542 3/20 0.37
TSHR P16473 1/20 0.37
ADORA3 P0DMS8 5/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA2A P29274 2/20 0.37
CHRM1 P11229 2/20 0.36

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
SCHEMBL5771832 0.87 TRPA1 (0.34) POLBDPP4KDM4ENPSR1GAA
SCHEMBL2960923 0.85 DPP4 (0.45) POLBHIF1ADPP4ALDH1A1TP53
SCHEMBL5718898 0.83 LMNA (0.54) POLBHIF1AALDH1A1KDM4ETP53
SCHEMBL555650 0.82 HIF1A (0.57) POLBHIF1ADPP4ALDH1A1KDM4E
SCHEMBL6384057 0.80 POLB (0.45) POLBHIF1ADPP4ALDH1A1KDM4E
SCHEMBL6381665 0.80 P2RX3 (0.35) DPP4
SCHEMBL2961214 0.78 POLB (0.64) POLBHIF1AALDH1A1MAPTMAPK1
SCHEMBL5772602 0.77 DPP4 (0.44) POLBHIF1ADPP4ALDH1A1KDM4E
SCHEMBL13217680 0.77 SIRT1 (0.51) ALDH1A1KDM4EADORA1ADORA3MEN1
SCHEMBL6381671 0.76 DPP4 (0.30) 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 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-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 (4 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 POLB 4027/4885HIF1A 1378/4885DPP4 4422/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 POLB 4529/4885HIF1A 2615/4885DPP4 1/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 POLB 3135/4885HIF1A 2555/4885DPP4 1/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 POLB 3135/4885HIF1A 2555/4885DPP4 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.