SCHEMBL798733

SCHEMBL798733

COc1ccc(-c2ccc3nc(NC(=O)Nc4ccccc4OCCC(C)C)sc3c2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.61
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
ABL1 P00519 8/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
MCL1 Q07820 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PABPC1 P11940 1/20 0.47
PIK3CA P42336 3/20 0.47
SHMT2 P34897 1/20 0.46
PIK3CD O00329 1/20 0.46
PIP5K1C O60331 1/20 0.46
PIK3CB P42338 1/20 0.46
PI4KA P42356 1/20 0.46
PI4KB Q9UBF8 1/20 0.46

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
SCHEMBL798966 0.87 MEN1 (0.52) PIK3CGMEN1KMT2ARAB9ANPC1
SCHEMBL172085 0.87 ABL1 (0.49) PIK3CGMEN1KMT2ARAB9ANPC1
SCHEMBL798882 0.85 MEN1 (0.51) PIK3CGMEN1KMT2ARAB9ANPC1
SCHEMBL799218 0.83 RAB9A (0.56) MEN1KMT2ARAB9ANPC1ABL1
SCHEMBL1303763 0.78 PIK3CG (0.75) PIK3CGRAB9ANPC1ABL1SMN1; SMN2
SCHEMBL1621705 0.77 PIK3CG (1.00) PIK3CGRAB9ANPC1HTTSMN1; SMN2
SCHEMBL1303127 0.77 PIK3CG (0.72) PIK3CGABL1PIK3CAPIK3CDPIP5K1C
SCHEMBL799160 0.76 MEN1 (0.48) PIK3CGMEN1KMT2ARAB9ANPC1
SCHEMBL799281 0.75 KMT2A (0.49) PIK3CGMEN1KMT2ARAB9ANPC1
SCHEMBL799159 0.75 PIK3CG (0.47) PIK3CGMEN1KMT2APABPC1PIK3CA

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 PIK3CG 16/4885MEN1 2694/4885KMT2A 2921/4885

“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.