SCHEMBL12809331

SCHEMBL12809331

CNc1nc2c([nH]1)c(=O)n(CCCC[C@@H](C)OC)c(=O)n2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
MAPT P10636 1/20 0.46
USP2 O75604 1/20 0.45
RECQL P46063 1/20 0.45
PDE5A O76074 2/20 0.41
HTT P42858 2/20 0.41
ADORA1 P30542 5/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE1C Q14123 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL6356833 0.86 GAA (0.50) GAAMAPTUSP2RECQLHTT
SCHEMBL6356830 0.86 GAA (0.50) GAAMAPTUSP2RECQLHTT
SCHEMBL12809333 0.85 PDE5A (0.43) GAAMAPTPDE5AADORA1ADORA2A
SCHEMBL14950450 0.82 PDE5A (0.45) PDE5AADORA1ADORA2AADORA2BMEN1
SCHEMBL6481994 0.76 GAA (0.48) GAAMAPTUSP2RECQLHTT
SCHEMBL6481991 0.76 GAA (0.48) GAAMAPTUSP2RECQLHTT
SCHEMBL4707344 0.75 ADORA1 (0.53) GAAMAPTUSP2RECQLPDE5A
SCHEMBL4707343 0.75 ADORA1 (0.53) GAAMAPTUSP2RECQLPDE5A
SCHEMBL4706697 0.73 ADORA1 (0.59) GAAMAPTUSP2RECQLHTT
SCHEMBL4706693 0.73 ADORA1 (0.59) GAAMAPTUSP2RECQLHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
US-20090269313-A1 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2009-10-29 US disclosed
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 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 (4 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-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 GAA 1813/4885MAPT 3901/4885USP2 3093/4885
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 GAA 1387/4885MAPT 4124/4885USP2 2978/4885
US-20090269313-A1 ENCAPSULATION SYSTEM GPR119, IAPP, LIPA GAA 2018/4885MAPT 1662/4885USP2 3419/4885
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION IAPP, PNLIP, AMY2A GAA 719/4885MAPT 4100/4885USP2 2366/4885

“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.