SCHEMBL3971216

SCHEMBL3971216

CC#CCn1c(Br)nc2c1c(=O)n(Cc1cccc(OC)c1C#N)c(=O)n2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.51
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL20041938 0.87 DPP4 (0.65) DPP4KMT2AMEN1CYP2C9CYP2C19
SCHEMBL4487837 0.83 KMT2A (0.60) DPP4KMT2AMEN1CYP2C9CYP2C19
SCHEMBL13936188 0.82 DPP4 (0.47) DPP4KMT2AMEN1TSHRALDH1A1
SCHEMBL3972138 0.80 DPP4 (0.82) DPP4
SCHEMBL3972139 0.80 DPP4 (0.82) DPP4
SCHEMBL4482398 0.78 DPP4 (0.71) DPP4TSHRALDH1A1HPGDL3MBTL1
SCHEMBL4469410 0.77 DPP4 (0.55) DPP4KMT2AMEN1TSHRALDH1A1
SCHEMBL637295 0.77 SMN1; SMN2 (0.53) DPP4KMT2AMEN1CYP2C9CYP2C19
SCHEMBL20041912 0.76 DPP4 (0.65) DPP4KMT2ACYP2C9CYP2C19TSHR
SCHEMBL19315964 0.76 DPP4 (0.45) DPP4CYP2C9CYP2C19TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697868-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US disclosed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-7501426-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-10 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-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 DPP4 2/4885KMT2A 2927/4885MEN1 4401/4885

“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.