SCHEMBL13200089

SCHEMBL13200089

CC#CCn1c(N2CCNCC2)nc2nc(NCc3ccc(OC)cc3)n(C)c(=O)c21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.52
FAP Q12884 5/20 0.50
CHRM1 P11229 2/20 0.45
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
DPP9 Q86TI2 1/20 0.42
HTR3A P46098 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 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 SCHEMBL2965593 0.93 DPP4 (0.46) DPP4FAPCHRM1MEN1MAPT
SCHEMBL13200086 0.90 DPP4 (0.53) DPP4FAPCHRM1MEN1MAPT
SCHEMBL13200079 0.90 DPP4 (0.61) DPP4FAPCHRM1MAPTALDH1A1
SCHEMBL13200422 0.84 DPP4 (0.56) DPP4FAPCHRM1DPP9HTR3A
Trifluoroacetic Acid SCHEMBL2961122 0.84 DPP4 (0.55) DPP4FAPCHRM1DPP9
Trifluoroacetic Acid SCHEMBL2967789 0.84 DPP4 (0.49) DPP4FAPCHRM1MEN1MAPT
SCHEMBL13200101 0.82 DPP4 (0.52) DPP4FAPCHRM1DPP9
SCHEMBL13200368 0.81 DPP4 (0.53) DPP4FAPCHRM1DPP9HTR3A
SCHEMBL13200096 0.81 DPP4 (0.59) DPP4FAPCHRM1MAPTLMNA
SCHEMBL13200047 0.81 DPP4 (0.64) DPP4FAPCHRM1DPP9

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 3205/4885CHRM1 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.