SCHEMBL4709710

SCHEMBL4709710

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.34
IDH1 O75874 1/20 0.32
MAPK1 P28482 1/20 0.32
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30

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
SCHEMBL2824003 0.84 IDH1 (0.37) ALDH1A1IDH1MAPK1
SCHEMBL1337511 0.81 IDH1 (0.37) ALDH1A1IDH1MAPK1
SCHEMBL4711671 0.78 ALDH1A1 (0.45) ALDH1A1RECQLIDH1MAPK1CACNA1G
SCHEMBL15878015 0.75 IDH1 (0.49) ALDH1A1IDH1MAPK1
SCHEMBL5325661 0.71 IDH1 (0.32) ALDH1A1IDH1MAPK1
SCHEMBL2826099 0.69 ALDH1A1 (0.48) ALDH1A1IDH1MAPK1
SCHEMBL4048718 0.67 KDM4E (0.62) ALDH1A1MAPK1
SCHEMBL1338558 0.66 ALDH1A1 (0.51) ALDH1A1IDH1MAPK1
SCHEMBL19734867 0.66 RECQL (0.38) ALDH1A1RECQL
SCHEMBL13172069 0.66 KDM4E (0.42) ALDH1A1IDH1MAPK1

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 2625/4885RECQL 492/4885IDH1 547/4885

“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.