SCHEMBL4922646

SCHEMBL4922646

CN(Cc1ccccc1)c1nc2oc3c(Cl)ncnc3c2c2c1COC(C)(C)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
KDM4E B2RXH2 7/20 0.56
HSD17B10 Q99714 6/20 0.56
HPGD P15428 6/20 0.56
MAPK1 P28482 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
USP2 O75604 2/20 0.56
HKDC1 Q2TB90 4/20 0.49
TSHR P16473 2/20 0.48
CREBBP Q92793 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDE4B Q07343 4/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.44
PDE4A P27815 1/20 0.44

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
SCHEMBL4914020 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL4922975 0.84 KDM4E (0.64) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL5054674 0.82 POLB (0.54) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4917120 0.80 PDE4B (0.72) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL4708892 0.73 ALDH1A1 (0.68) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL4709819 0.73 PDE4B (0.69) ALDH1A1KDM4EHSD17B10HPGDHKDC1
SCHEMBL4049422 0.70 PDE4B (0.56) ALDH1A1KDM4EHPGDMAPK1KMT2A
SCHEMBL5013112 0.68 KDM4E (0.47) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL4926610 0.68 KDM4E (0.49) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL4707526 0.68 KDM4E (0.49) ALDH1A1KDM4EHSD17B10HPGDMAPK1

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 ALDH1A1 2625/4885KDM4E 3618/4885HSD17B10 472/4885

“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.