SCHEMBL2964029

SCHEMBL2964029

CC(C)(C)C(=O)OCn1c(=O)c2c(ncn2-c2ccccc2Cl)n(COC(=O)C(C)(C)C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 1/20 0.37
HCAR1 Q9BXC0 1/20 0.37
PDE4B Q07343 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ADORA2B P29275 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5719350 0.93 ADORA2B (0.43) KMT2AP2RX7ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2955104 0.93 P2RX7 (0.43) P2RX7PDE4BPDE4APDE4CPDE4D
SCHEMBL5791762 0.91 KMT2A (0.37) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL5791764 0.87 ALDH1A1 (0.34) KMT2AP2RX7HCAR1PDE4BPDE4A
SCHEMBL5772759 0.86 PDE4A (0.35) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL23146012 0.83 KMT2A (0.43) KMT2AALDH1A1HSD17B10SMN1; SMN2ADORA2B
SCHEMBL23146226 0.81 KMT2A (0.35) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL2957710 0.79 ALDH1A1 (0.57) KMT2AALDH1A1SMN1; SMN2ADORA2BPOLB
SCHEMBL6381931 0.76 RXFP1 (0.40) KMT2AP2RX7PDE4BPDE4APDE4C
SCHEMBL2962650 0.76 ALDH1A1 (0.38) KMT2AP2RX7ALDH1A1HSD17B10SMN1; SMN2

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 11 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-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 (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 KMT2A 926/4885P2RX7 3282/4885HCAR1 2946/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 KMT2A 2689/4885P2RX7 1045/4885HCAR1 1558/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 KMT2A 993/4885P2RX7 2739/4885HCAR1 3769/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KMT2A 993/4885P2RX7 2739/4885HCAR1 3769/4885

“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.