SCHEMBL4709972

SCHEMBL4709972

CC1(C)CCc2c(N3CCOCC3)nc(OCC(=O)O)c(C#N)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.44
KDM4E B2RXH2 10/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HSD17B10 Q99714 3/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 4/20 0.42
HPGD P15428 4/20 0.42
HIF1A Q16665 3/20 0.42
HTT P42858 2/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL4053983 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL4708582 0.74 MEN1 (0.72) ALDH1A1KDM4EMEN1KMT2ARXFP1
SCHEMBL4045731 0.67 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL4707297 0.66 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10MAPK1LMNA
SCHEMBL17211719 0.65 NPSR1 (0.79) ALDH1A1KDM4EMEN1KMT2ARXFP1
SCHEMBL4049208 0.65 IDH1 (0.39) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3896677 0.65 NPSR1 (0.77) ALDH1A1KDM4EMEN1KMT2ARXFP1
SCHEMBL17211716 0.65 KDM4E (0.81) ALDH1A1KDM4EMEN1KMT2ARXFP1
SCHEMBL4048583 0.64 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL4708645 0.64 KDM4E (0.54) ALDH1A1KDM4EMEN1KMT2AHSD17B10

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 2625/4885KDM4E 3618/4885MEN1 2985/4885

“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.