SCHEMBL4462771

SCHEMBL4462771

CC(=O)Nc1ccc(CC2=NNC(=O)C2=C2C=Cc3ccccc3N2)cc1.Nc1ccc(SC2=NNC(=O)C2=C2C=Cc3ccccc3N2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PTPN1 P18031 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AURKA O14965 1/20 0.30
SRC P12931 1/20 0.30
GSK3B P49841 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 1.00 PKM (0.34) PKMCYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL4464440 0.88 SMN1; SMN2 (0.41) CYP2C19SMN1; SMN2MEN1KMT2APTPN1
SCHEMBL4460455 0.88 SMN1; SMN2 (0.41) PKMCYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL4460453 0.88 SMN1; SMN2 (0.41) PKMCYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL4464443 0.88 SMN1; SMN2 (0.41) CYP2C19SMN1; SMN2MEN1KMT2APTPN1
SCHEMBL4462773 0.83 KMT2A (0.31) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL4461273 0.81 GAA (0.36) GAAMAPTTSHR
SCHEMBL4461277 0.81 GAA (0.36) GAAMAPTTSHR
SCHEMBL4470583 0.80 MAPT (0.37) SMN1; SMN2GAAMAPTTSHRALDH1A1
SCHEMBL4470585 0.80 MAPT (0.37) SMN1; SMN2GAAMAPTTSHRALDH1A1

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 PKM 462/4885CYP2C19 2032/4885SMN1; SMN2 4388/4885

“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.