SCHEMBL3554510

SCHEMBL3554510

O=c1[nH]c(=O)n(-c2ccccc2)c2nc(Br)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
GAA P10253 5/20 0.41
TSHR P16473 4/20 0.41
TP53 P04637 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAT2A P31153 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL22560005 0.79 CSNK2A1 (0.54) CSNK2A1KMT2AMEN1TSHRKDM4E
SCHEMBL7604058 0.77 PNP (0.51) CSNK2A1KMT2AMAPTADORA2AADORA2B
SCHEMBL19211636 0.77 CSNK2A1 (0.42) CSNK2A1KMT2AMAPTMEN1ADORA2A
SCHEMBL5641835 0.77 PNP (0.60) KMT2AMEN1ADORA2AADORA2BTSHR
SCHEMBL5722163 0.76 MEN1 (0.48) KMT2AMAPTMEN1ADORA2AADORA2B
SCHEMBL6663821 0.74 PNP (0.61) KMT2AADORA2AADORA2BGAAMAPK1
SCHEMBL1241218 0.70 ALDH1A1 (0.49) KMT2AMAPTGAATSHRTP53
SCHEMBL7421517 0.70 PNP (0.46) CSNK2A1KMT2AMAPTMEN1GAA
SCHEMBL22094368 0.69 MAT2A (0.46) CSNK2A1KMT2AMAPTMEN1GAA
SCHEMBL31145323 0.69 MAT2A (0.46) CSNK2A1KMT2AMAPTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-25 US claimed
US-7645763-B2 dipeptidylpeptidase-IV inhibitors; antidiabetic agents, antiarthritic agents, obesity, allograft transplantation, and osteoporosis caused by calcitonin; 1,3-disubstituted-7-(2-butyn-1-yl)-8-(3-aminopiperidin-1-yl)-xanthine compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-12 US disclosed
EP-1720875-B1 8- [3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-12-10 EP disclosed
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-25 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-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition DPP8, DPP4, DPP7 CSNK2A1 1992/4885KMT2A 2791/4885MAPT 340/4885

“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.