SCHEMBL8440940

SCHEMBL8440940

CCn1c(Br)nc2c1c(=O)n(Cc1ncccc1C#N)c(=O)n2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.47
LMNA P02545 8/20 0.46
TSHR P16473 6/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 1/20 0.44
DPP4 P27487 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL497449 0.89 DPP4 (0.50) KMT2AGAALMNATSHRNPSR1
SCHEMBL13954983 0.82 KMT2A (0.42) KMT2ATSHRNPSR1MAPK1PKM
SCHEMBL18459814 0.81 KMT2A (0.44) KMT2ADPP4KCNH2
SCHEMBL13955069 0.80 DPP4 (0.42) KMT2ATSHRNPSR1MAPK1PKM
SCHEMBL13954980 0.80 KMT2A (0.41) KMT2ATSHRNPSR1MAPK1PKM
SCHEMBL2609251 0.78 DPP4 (0.68) DPP4KCNH2
SCHEMBL12290555 0.78 DPP4 (0.68) DPP4KCNH2
SCHEMBL638223 0.76 LMNA (0.58) KMT2AGAALMNATSHRSMN1; SMN2
SCHEMBL8268286 0.75 DPP4 (0.49) GAALMNATSHRNPSR1SMN1; SMN2
SCHEMBL8444009 0.74 DPP4 (0.55) DPP4KCNH2

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-8106060-B2 8-(3-amino-piperidin-1-yl)-xanthines, their preparation, and their use as pharmaceuticals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-31 US disclosed
US-7820815-B2 for preventing or treating disorders connected with an increased DPP-IV activity, especially of diabetes mellitus type I or type II, prediabetes, or reduction of glucose tolerance; 1-[(4-methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-(R)-aminopiperidin-1-yl)-xanthine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-26 US disclosed
US-20090192314-A1 PROCESS FOR THE PREPARATION OF CHIRAL 8-(3-AMINOPIPERIDIN-1YL)-XANTHINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-30 US disclosed
US-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-01 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 (2 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-20090192314-A1 PROCESS FOR THE PREPARATION OF CHIRAL 8-(3-AMINOPIPERIDIN-1YL)-XANTHINES UGT1A8, XDH, CYP2C8 KMT2A 2296/4885GAA 2608/4885LMNA 1877/4885
US-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS PDE8B, PDE8A, XDH KMT2A 2489/4885GAA 868/4885LMNA 1483/4885

“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.