SCHEMBL4462773

SCHEMBL4462773

Nc1ccc(SC2=NN(CC(=O)Nc3ccc(CC4=NNC(=O)C4=C4C=Cc5ccccc5N4)cc3)C(=O)C2=C2C=Cc3ccccc3N2)cc1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5999321 0.83 PKM (0.34) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL4470585 0.77 MAPT (0.37) ALDH1A1MAPTTDP1
SCHEMBL4460453 0.75 SMN1; SMN2 (0.41) KMT2AALDH1A1MAPTMEN1
SCHEMBL4460455 0.75 SMN1; SMN2 (0.41) KMT2AALDH1A1MAPTMEN1
SCHEMBL4461273 0.72 GAA (0.36) MAPK1MAPT
SCHEMBL4461277 0.72 GAA (0.36) MAPK1MAPT
SCHEMBL4464440 0.70 SMN1; SMN2 (0.41) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL4464443 0.70 SMN1; SMN2 (0.41) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL4460439 0.70 GAA (0.40) MAPT
SCHEMBL4460435 0.70 GAA (0.40) MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
US-20060041137-A1 Kinase inhibitors TAKEDA SAN DIEGO, INC. 2006-02-23 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-20060041137-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K1 KMT2A 897/4885MAPK1 156/4885ALDH1A1 4393/4885

“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.