SCHEMBL3576453

SCHEMBL3576453

CC(C)(C)N(C(=O)O)c1cncc(I)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HCAR2 Q8TDS4 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
SCHEMBL1532886 0.81 KDM4E (0.39) KDM4EMEN1ALDH1A1KMT2AHCAR2
SCHEMBL19282553 0.81 HCAR2 (0.46) KDM4EMEN1ALDH1A1KMT2AHCAR2
SCHEMBL20608764 0.80 HCAR2 (0.44) KDM4EMEN1ALDH1A1KMT2AHCAR2
SCHEMBL1025623 0.80 POLB (0.44) KDM4EMEN1ALDH1A1KMT2AHCAR2
SCHEMBL23854652 0.78 KDM4E (0.36) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL22289328 0.77 HCAR2 (0.40) KDM4EMEN1ALDH1A1KMT2AHCAR2
SCHEMBL1024857 0.76 KDM4E (0.35) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1025144 0.75 SCN2A (0.39) MEN1KMT2AHCAR2
SCHEMBL14910266 0.74 KDM4E (0.33) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1558987 0.74 PDGFRB (0.37) KDM4EMEN1ALDH1A1KMT2A

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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 KDM4E 524/4885MEN1 2463/4885ALDH1A1 2198/4885

“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.