SCHEMBL2993847

SCHEMBL2993847

CC(C)=CCn1c(N2CCCCC2)nc2c1c(=O)n(Cc1ncnc3ccccc13)c(=O)n2C

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.81
CHRM1 P11229 4/20 0.63
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM3 P20309 1/20 0.52
KCNH2 Q12809 1/20 0.52
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL557390 0.89 DPP4 (1.00) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL637194 0.83 DPP4 (0.73) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL27583022 0.78 DPP4 (0.79) DPP4CHRM1ALDH1A1SMN1; SMN2CHRM2
SCHEMBL2760536 0.78 DPP4 (0.81) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL556234 0.78 DPP4 (0.80) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL554889 0.78 DPP4 (1.00) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL554890 0.78 DPP4 (1.00) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL556080 0.78 DPP4 (1.00) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL3038545 0.77 DPP4 (0.63) DPP4CHRM1KMT2AALDH1A1MEN1
SCHEMBL3653413 0.75 DPP4 (0.80) DPP4CHRM1CHRM2CHRM3KCNH2

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-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 334/4885KMT2A 3439/4885

“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.