SCHEMBL13217554

SCHEMBL13217554

CCn1c(N2CCNCC2)nc2nc(Sc3nccs3)n(C)c(=O)c21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.39
PIM1 P11309 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2C P28335 1/20 0.32
FLT3 P36888 1/20 0.32
KCNH2 Q12809 1/20 0.32
NUDT5 Q9UKK9 1/20 0.32

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
SCHEMBL13200342 0.88 DPP4 (0.53) DPP4KCNH2
SCHEMBL13217116 0.83 SMN1; SMN2 (0.42) DPP4PIM1L3MBTL1ALDH1A1POLB
SCHEMBL13217360 0.83 DPP4 (0.43) DPP4PIM1L3MBTL1ALDH1A1POLB
SCHEMBL13217861 0.83 NPSR1 (0.45) DPP4PIM1L3MBTL1ALDH1A1POLB
Trifluoroacetic Acid SCHEMBL2958386 0.82 DPP4 (0.47) DPP4KCNH2
SCHEMBL13217557 0.82 DPP4 (0.39) DPP4PIM1L3MBTL1ALDH1A1POLB
SCHEMBL13217549 0.82 PIM1 (0.39) DPP4PIM1L3MBTL1ALDH1A1POLB
SCHEMBL13217391 0.82 DPP4 (0.42) DPP4PIM1L3MBTL1ALDH1A1POLB
SCHEMBL13217101 0.81 DPP4 (0.45) DPP4PIM1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13217349 0.81 PIM1 (0.46) DPP4PIM1L3MBTL1ALDH1A1POLB

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 1/4885PIM1 1065/4885L3MBTL1 1022/4885

“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.