SCHEMBL13201047

SCHEMBL13201047

CC#CCn1c(N[C@@H]2CCCC[C@@H]2N)nc2cnn(C)c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.41
KAT2B Q92831 2/20 0.39
CHRM1 P11229 3/20 0.38
SYK P43405 2/20 0.37
CHEK1 O14757 1/20 0.35
PAK4 O96013 1/20 0.35
RET P07949 1/20 0.35
PHKG2 P15735 1/20 0.35
PDGFRA P16234 1/20 0.35
FER P16591 1/20 0.35
EPHA1 P21709 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
ZAP70 P43403 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL13201031 1.00 DPP4 (0.41) DPP4KAT2BCHRM1SYKCHEK1
SCHEMBL4065711 1.00 DPP4 (0.41) DPP4KAT2BCHRM1SYKCHEK1
Trifluoroacetic Acid SCHEMBL2965093 0.92 IRAK4 (0.40) DPP4CHRM1SYK
Trifluoroacetic Acid SCHEMBL2952356 0.92 IRAK4 (0.40) DPP4CHRM1SYK
SCHEMBL13969617 0.87 KAT2B (0.42) DPP4KAT2BSYKCHEK1PAK4
SCHEMBL13217465 0.87 KAT2B (0.42) DPP4KAT2BSYKCHEK1PAK4
SCHEMBL2954861 0.72 DPP4 (0.68) DPP4CHRM1
SCHEMBL8286495 0.72 DPP4 (0.51) DPP4CHRM1
SCHEMBL2962657 0.71 DPP4 (0.37) DPP4KAT2BCHRM1
SCHEMBL4250824 0.70 DPP4 (0.54) DPP4CHRM1

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 1/4885KAT2B 1271/4885CHRM1 43/4885

“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.