SCHEMBL6736252

SCHEMBL6736252

CC(C)=CCn1c(N2CCCC(NC(C=O)N3CCCCC3)C2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.65
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CHRM1 P11229 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
KCNH2 Q12809 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6741826 0.99 DPP4 (0.66) DPP4KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6741912 0.93 DPP4 (0.62) DPP4KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6741219 0.87 DPP4 (0.60) DPP4KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL556458 0.86 DPP4 (0.62) DPP4KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6738715 0.86 DPP4 (0.59) DPP4KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6739236 0.86 DPP4 (0.59) DPP4KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL27599942 0.85 DPP4 (0.73) DPP4KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL554754 0.84 DPP4 (0.76) DPP4KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6741312 0.84 DPP4 (0.56) DPP4KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL556236 0.84 DPP4 (0.68) DPP4KMT2AALDH1A1MEN1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 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-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885KMT2A 3433/4885ALDH1A1 187/4885

“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.