SCHEMBL4457826

SCHEMBL4457826

Nc1ccc(NC2=NNC(=O)/C2=C2/C=Cc3ccccc3N2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
APP P05067 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
SNCA P37840 1/20 0.31

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
SCHEMBL4457831 1.00 MAPT (0.36) MAPTGAAALDH1A1CYP1A2CYP3A4
SCHEMBL4470653 0.84 MAPT (0.42) MAPTGAAALDH1A1HTTL3MBTL1
SCHEMBL4470643 0.84 MAPT (0.42) MAPTGAAALDH1A1HTTL3MBTL1
SCHEMBL4460259 0.77 MAPT (0.46) MAPTGAASMN1; SMN2
SCHEMBL4460256 0.77 MAPT (0.46) MAPTGAASMN1; SMN2
SCHEMBL4470583 0.77 MAPT (0.37) MAPTGAAALDH1A1CYP3A4L3MBTL1
SCHEMBL4470585 0.77 MAPT (0.37) MAPTGAAALDH1A1CYP3A4L3MBTL1
SCHEMBL4461277 0.76 GAA (0.36) MAPTGAACYP3A4KDM1A
SCHEMBL4461273 0.76 GAA (0.36) MAPTGAACYP3A4KDM1A
SCHEMBL4462876 0.75 MAPT (0.38) MAPTGAAALDH1A1HTTMEN1

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 7 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 claimed
EP-1778669-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-05-02 EP claimed
WO-2006023931-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-03-02 WO claimed
US-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
US-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
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 MAPT 2532/4885GAA 3059/4885ALDH1A1 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.