SCHEMBL2961124

SCHEMBL2961124

CC#CCN1c2c(nc(NCc3ccccc3)n(C)c2=O)N(OC(=O)C(F)(F)F)C1N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.36
TSHR P16473 1/20 0.32
FAP Q12884 3/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL2967793 0.93 PRLHR (0.33) DPP4ALDH1A1MAPT
SCHEMBL2952804 0.93 DPP4 (0.35) DPP4TSHRFAPALDH1A1MAPT
SCHEMBL2965594 0.92 ALDH1A1 (0.34) DPP4TSHRALDH1A1GAAMAPT
SCHEMBL2952643 0.90 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL2958725 0.90 DPP4 (0.33) DPP4FAP
SCHEMBL2962138 0.88 DPP4 (0.37) DPP4FAP
SCHEMBL2964155 0.87 HTR2C (0.38) DPP4FAPALDH1A1HIF1A
SCHEMBL2964934 0.87 DPP4 (0.35) DPP4FAP
SCHEMBL2958637 0.86 PDE5A (0.32) DPP4
SCHEMBL2954374 0.85 DPP4 (0.32) 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 3 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-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 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-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885TSHR 1385/4885FAP 3205/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885TSHR 1385/4885FAP 3205/4885

“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.