SCHEMBL4922607

SCHEMBL4922607

COc1nc2oc3c(O)ncnc3c2c2c1CCC(C)(C)C2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HKDC1 Q2TB90 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE4B Q07343 14/20 0.43
PDE4A P27815 13/20 0.43
PDE4D Q08499 13/20 0.43

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
SCHEMBL4710144 0.95 ALDH1A1 (0.46) ALDH1A1HKDC1TSHRMEN1KMT2A
SCHEMBL4925674 0.88 ALDH1A1 (0.50) ALDH1A1HKDC1TSHRMEN1KMT2A
SCHEMBL4708792 0.76 PDE4B (0.78) ALDH1A1TSHRMEN1KMT2APDE4B
SCHEMBL4924038 0.76 PDE4B (0.78) ALDH1A1MEN1KMT2APDE4BPDE4A
SCHEMBL4923387 0.74 PDE4B (0.80) PDE4BPDE4APDE4D
SCHEMBL4924655 0.73 PDE4B (0.80) ALDH1A1MEN1KMT2APDE4BPDE4A
SCHEMBL4711537 0.68 ALDH1A1 (0.59) ALDH1A1TSHRKMT2A
SCHEMBL4914577 0.67 PDE4B (0.83) ALDH1A1TSHRMEN1KMT2APDE4B
SCHEMBL4927782 0.67 PDE4B (0.69) PDE4BPDE4APDE4D
SCHEMBL4920419 0.63 PDE4B (0.93) PDE4BPDE4APDE4D

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 2625/4885HKDC1 2913/4885TSHR 191/4885

“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.