SCHEMBL2960923

SCHEMBL2960923

CC#CCn1c(Cl)nc2c1c(=O)n(CCc1ccccc1)c(=O)n2CCC(C)(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.45
POLB P06746 1/20 0.44
HIF1A Q16665 1/20 0.44
ADORA3 P0DMS8 4/20 0.40
TP53 P04637 3/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX15 P16050 1/20 0.39
ADORA1 P30542 3/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 1/20 0.38
CHRM1 P11229 2/20 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
SCHEMBL2965812 0.85 POLB (0.42) DPP4POLBHIF1AADORA3TP53
SCHEMBL555650 0.84 HIF1A (0.57) DPP4POLBHIF1AADORA3TP53
SCHEMBL5718898 0.82 LMNA (0.54) POLBHIF1AADORA3TP53LMNA
SCHEMBL6384057 0.81 POLB (0.45) DPP4POLBHIF1AADORA3TP53
SCHEMBL5772602 0.79 DPP4 (0.44) DPP4POLBHIF1ATP53LMNA
SCHEMBL1947774 0.75 MAPT (0.54) POLBHIF1AADORA3TP53LMNA
SCHEMBL28749929 0.74 HIF1A (0.62) POLBHIF1AADORA3TP53LMNA
SCHEMBL27600589 0.74 LMNA (0.62) POLBHIF1ATP53LMNAALDH1A1
SCHEMBL555012 0.72 HIF1A (0.63) POLBHIF1ATP53LMNAALDH1A1
SCHEMBL555395 0.72 HTT (0.60) POLBHIF1ATP53LMNAALDH1A1

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 5 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-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
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 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 (2 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 DPP4 4422/4885POLB 4027/4885HIF1A 1378/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885POLB 3135/4885HIF1A 2555/4885

“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.