SCHEMBL4926610

SCHEMBL4926610

CN(Cc1ccccc1)c1nc(O)c(C#N)c2c1COC(C)(C)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.49
ALDH1A1 P00352 14/20 0.48
HPGD P15428 8/20 0.48
LMNA P02545 4/20 0.48
HIF1A Q16665 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 7/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 4/20 0.46
GAA P10253 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL4707526 0.87 KDM4E (0.49) KDM4EALDH1A1HPGDLMNAHIF1A
SCHEMBL4710527 0.79 ALDH1A1 (0.57) KDM4EALDH1A1HPGDLMNAHIF1A
SCHEMBL16222483 0.74 KDM4E (0.55) KDM4EALDH1A1HPGDLMNAHIF1A
SCHEMBL15877548 0.72 ALDH1A1 (0.62) KDM4EALDH1A1HPGDLMNAHIF1A
SCHEMBL14250622 0.71 IDH1 (0.56) IDH1
SCHEMBL16222465 0.71 ALDH1A1 (0.54) KDM4EALDH1A1HPGDLMNAHIF1A
SCHEMBL4051813 0.70 PDE4B (0.41) KDM4EALDH1A1HPGDLMNAHIF1A
SCHEMBL15878045 0.70 IDH1 (0.52) IDH1
SCHEMBL14318241 0.69 KDM4E (0.62) KDM4EALDH1A1HPGDLMNAHIF1A
SCHEMBL14251057 0.69 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHIF1AMEN1

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 1 patent. 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

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 KDM4E 3618/4885ALDH1A1 2625/4885HPGD 1978/4885

“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.