SCHEMBL13200079

SCHEMBL13200079

CC#CCn1c(N2CCNCC2)nc2nc(NCc3ccccc3)n(C)c(=O)c21

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.61
FAP Q12884 5/20 0.53
DPP9 Q86TI2 1/20 0.49
CHRM1 P11229 2/20 0.47
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HIF1A Q16665 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL2961122 0.94 DPP4 (0.55) DPP4FAPDPP9CHRM1
SCHEMBL13200086 0.91 DPP4 (0.53) DPP4FAPDPP9CHRM1ALDH1A1
SCHEMBL13200096 0.91 DPP4 (0.59) DPP4FAPDPP9CHRM1MAPT
SCHEMBL13200089 0.90 DPP4 (0.52) DPP4FAPDPP9CHRM1TSHR
SCHEMBL3971373 0.89 DPP4 (0.62) DPP4TSHRALDH1A1GAAMAPT
SCHEMBL13200101 0.88 DPP4 (0.52) DPP4FAPDPP9CHRM1
SCHEMBL13217368 0.88 DPP4 (0.53) DPP4TSHRALDH1A1GAAMAPT
SCHEMBL13200118 0.87 DPP4 (0.58) DPP4FAPDPP9CHRM1ALDH1A1
Trifluoroacetic Acid SCHEMBL2967789 0.86 DPP4 (0.49) DPP4FAPDPP9CHRM1ALDH1A1
Trifluoroacetic Acid SCHEMBL2952802 0.85 DPP4 (0.53) DPP4FAPDPP9CHRM1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885FAP 3205/4885DPP9 19/4885

“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.