SCHEMBL798680

SCHEMBL798680

COc1ccc(-c2ccc3nc(NC(=O)Nc4ccccc4OCCC(C)C)cn3n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 14/20 0.48
PIK3CA P42336 4/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CG P48736 1/20 0.47
MEN1 O00255 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42

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
SCHEMBL171905 0.87 PIK3CA (0.52) RIPK1PIK3CAPIK3CDPIK3CG
SCHEMBL799248 0.87 PIK3CA (0.48) RIPK1PIK3CAPIK3CDPIK3CG
SCHEMBL799159 0.86 PIK3CG (0.47) PIK3CAPIK3CDPIK3CGMEN1PABPC1
SCHEMBL799302 0.83 RIPK1 (0.49) RIPK1PIK3CA
SCHEMBL798697 0.83 PIK3CD (0.43) RIPK1PIK3CAPIK3CDPIK3CGCSNK1D
SCHEMBL799281 0.80 KMT2A (0.49) PIK3CAPIK3CGMEN1PABPC1KMT2A
SCHEMBL12664457 0.79 PIK3CA (0.56) RIPK1PIK3CAPIK3CDPIK3CGCSNK1D
SCHEMBL172085 0.76 ABL1 (0.49) PIK3CGMEN1PABPC1KMT2A
SCHEMBL798968 0.75 PIK3CG (0.60) PIK3CAPIK3CDPIK3CG
SCHEMBL798733 0.73 PIK3CG (0.61) PIK3CAPIK3CDPIK3CGMEN1PABPC1

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 RIPK1 1673/4885PIK3CA 15/4885PIK3CD 10/4885

“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.