SCHEMBL13105437

SCHEMBL13105437

COc1cc(-c2sc(-c3nnc[nH]3)c(-c3ccc(Cl)cc3I)c2C#N)ccn1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM5A P29375 1/20 0.30
CYP3A4 P08684 1/20 0.30
AAK1 Q2M2I8 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
SCHEMBL15935946 0.91 DYRK1A (0.40) DYRK1AGSK3AGSK3BCLK4PIK3CA
SCHEMBL13105952 0.87 KDM4E (0.36) PIK3CAMTOR
SCHEMBL13105658 0.87 PIK3CA (0.32) PIK3CAMTOR
SCHEMBL12947718 0.86 DYRK1A (0.32) DYRK1AGSK3AGSK3BCLK4PIK3CA
SCHEMBL13105651 0.85 MET (0.32) PIK3CAMTORMAPTCYP3A4
SCHEMBL13105844 0.83 PIK3CA (0.32) PIK3CAMTOR
SCHEMBL13105659 0.83 TGFBR1 (0.38) GSK3AGSK3BCYP3A4AAK1
SCHEMBL13105656 0.82 CDK2 (0.33) GSK3BPIK3CAMTORMAPT
SCHEMBL13105654 0.82 CNR1 (0.33) GSK3BPIK3CAMTOR
SCHEMBL13105849 0.82 NR3C2 (0.37) GSK3BPIK3CAMTOR

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-20100256172-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-07 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-20100256172-A1 Heteroaryls and uses thereof PIK3R3, PIK3R1, AKT3 DYRK1A 1006/4885GSK3A 26/4885GSK3B 23/4885

“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.