SCHEMBL13200437

SCHEMBL13200437

CC#CCn1c(N2CCNCC2)nc2nc(Oc3ccccc3C#N)n(C)c(=O)c21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.57
FAP Q12884 5/20 0.48
DPP9 Q86TI2 1/20 0.45
CHRM1 P11229 2/20 0.43
KCNH2 Q12809 3/20 0.42
HTR2C P28335 1/20 0.40

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 SCHEMBL2956469 0.93 DPP4 (0.51) DPP4FAPDPP9CHRM1KCNH2
SCHEMBL13200420 0.90 DPP4 (0.55) DPP4FAPDPP9CHRM1
SCHEMBL13200414 0.89 DPP4 (0.54) DPP4FAPDPP9CHRM1HTR2C
SCHEMBL13200406 0.87 DPP4 (0.54) DPP4FAPDPP9CHRM1
SCHEMBL13200030 0.86 DPP4 (0.58) DPP4FAPDPP9CHRM1HTR2C
SCHEMBL13200460 0.86 DPP4 (0.51) DPP4FAPDPP9CHRM1
SCHEMBL13200506 0.86 DPP4 (0.53) DPP4FAPDPP9CHRM1
SCHEMBL2960891 0.85 DPP4 (0.50) DPP4FAPDPP9CHRM1
SCHEMBL13200598 0.85 DPP4 (0.51) DPP4FAPDPP9CHRM1KCNH2
SCHEMBL13200464 0.85 DPP4 (0.51) 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.