SCHEMBL4459250

SCHEMBL4459250

CCS(=O)(=O)n1ccc2cc(C3=NNC(=O)C3=C3C=Cc4ccccc4N3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.36
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4459243 1.00 HTR6 (0.36) HTR6POLBL3MBTL1
SCHEMBL5504078 0.83 HTR6 (0.34) HTR6
SCHEMBL5504074 0.83 HTR6 (0.34) HTR6
SCHEMBL4465966 0.77 PSIP1 (0.36)
SCHEMBL4465969 0.77 PSIP1 (0.36)
SCHEMBL4474579 0.76 BRD4 (0.38)
SCHEMBL4474572 0.76 BRD4 (0.38)
SCHEMBL4463051 0.74 SMN1; SMN2 (0.36) POLBL3MBTL1
SCHEMBL4463046 0.74 SMN1; SMN2 (0.36) POLBL3MBTL1
SCHEMBL4460358 0.72 MAPT (0.43)

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 4 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
US-20060041137-A1 Kinase inhibitors TAKEDA SAN DIEGO, INC. 2006-02-23 US claimed
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 HTR6 3051/4885POLB 943/4885L3MBTL1 2640/4885

“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.