SCHEMBL4711671

SCHEMBL4711671

COc1nc(OCC(=O)O)c(C#N)c2c1CCC(C)(C)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.39
HPGD P15428 4/20 0.37
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
CACNA1H O95180 2/20 0.34
RECQL P46063 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
IDH1 O75874 1/20 0.33
SQOR Q9Y6N5 1/20 0.32
PIM1 P11309 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 2/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4709972 0.79 ALDH1A1 (0.44) ALDH1A1MAPK1NPSR1HTTHPGD
SCHEMBL2826099 0.62 ALDH1A1 (0.48) ALDH1A1MAPK1HTTHPGDGAA
SCHEMBL22289632 0.61 ALDH1A1 (0.56) ALDH1A1MAPK1HTTHPGDGAA
SCHEMBL13172069 0.59 KDM4E (0.42) ALDH1A1MAPK1HTTHPGDGAA
SCHEMBL4711537 0.59 ALDH1A1 (0.59) ALDH1A1MAPK1NPSR1HTTHPGD
SCHEMBL1338636 0.58 HTT (0.65) ALDH1A1HTTHPGDGAAKDM4E
SCHEMBL15878015 0.58 IDH1 (0.49) ALDH1A1MAPK1NPSR1HTTHPGD
SCHEMBL31647935 0.58 KDM4E (0.62) ALDH1A1MAPK1HTTHPGDGAA
SCHEMBL4044801 0.57 PDE4A (0.37) ALDH1A1NPSR1HPGDGAAKDM4E
SCHEMBL1338304 0.57 KDM4E (0.45) ALDH1A1MAPK1NPSR1HTTHPGD

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-20080221096-A1 Pyrido[3' ,2':4,5]Furo[3,2-d]Pyrimidine Derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2008-09-11 US disclosed
EP-1913003-A1 NEW PYRIDO[3',2':4,5]FURO[3,2-d]PYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2008-04-23 EP disclosed
WO-2007017078-A1 NEW PYRIDO[3',2':4,5]FURO[3,2-d]PYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 WO 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-20080221096-A1 Pyrido[3' ,2':4,5]Furo[3,2-d]Pyrimidine Derivatives NR1H2, CBR3, NR4A1 ALDH1A1 2625/4885MAPK1 4161/4885NPSR1 413/4885

“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.