SCHEMBL3545662

SCHEMBL3545662

CC#CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
MDM2 Q00987 1/20 0.48
ALDH1A1 P00352 6/20 0.47
MAPK1 P28482 5/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HIF1A Q16665 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.43
USP2 O75604 3/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL497538 0.79 KDM4E (0.62) RECQLMDM2ALDH1A1MAPK1LMNA
SCHEMBL2751347 0.74 KDM4E (0.42) RECQLMDM2ALDH1A1MAPK1LMNA
SCHEMBL9388002 0.71 HCAR1 (0.40) RECQLMDM2ALDH1A1MAPK1LMNA
SCHEMBL27604771 0.70 RECQL (0.59) RECQLMDM2ALDH1A1MAPK1LMNA
SCHEMBL27908390 0.69 NOD1 (0.37) RECQLMDM2ALDH1A1MAPK1LMNA
SCHEMBL4667126 0.68 RECQL (0.76) RECQLMDM2ALDH1A1MAPK1LMNA
SCHEMBL638163 0.68 DPP4 (0.62) ALDH1A1MAPK1LMNAMEN1KMT2A
SCHEMBL3554510 0.66 CSNK2A1 (0.43) ALDH1A1MAPK1LMNAGAAMEN1
SCHEMBL17124943 0.65 HPGD (0.49) ALDH1A1MAPK1LMNASMN1; SMN2KDM4E
SCHEMBL16391745 0.65 KDM4E (0.64) RECQLMDM2ALDH1A1MAPK1LMNA

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-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
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 RECQL 2959/4885MDM2 3813/4885ALDH1A1 249/4885

“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.