SCHEMBL798579

SCHEMBL798579

CC(=O)Nc1nc2ccc(-c3cccc(C(C)=O)c3)cc2s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.77
PIK3CA P42336 5/20 0.69
CYP3A4 P08684 2/20 0.62
DYRK1A Q13627 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
FSCN1 Q16658 1/20 0.59
PDPK1 O15530 1/20 0.59
SMO Q99835 2/20 0.59
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
NFKB1 P19838 1/20 0.58

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
SCHEMBL3711448 0.90 DYRK1A (0.75) PIK3CGPIK3CACYP3A4DYRK1ASMN1; SMN2
SCHEMBL1651716 0.90 SMN1; SMN2 (0.75) PIK3CGPIK3CACYP3A4DYRK1ASMN1; SMN2
SCHEMBL3709415 0.89 PIK3CG (0.76) PIK3CGPIK3CACYP3A4DYRK1ASMN1; SMN2
SCHEMBL1651394 0.89 PIK3CG (0.79) PIK3CGPIK3CACYP3A4DYRK1ASMN1; SMN2
SCHEMBL13615436 0.88 PIK3CG (0.70) PIK3CGPIK3CACYP3A4DYRK1ASMN1; SMN2
SCHEMBL1651874 0.87 PIK3CG (1.00) PIK3CGPIK3CACYP3A4DYRK1ASMN1; SMN2
SCHEMBL3870265 0.86 PIK3CG (0.79) PIK3CGPIK3CACYP3A4DYRK1ASMN1; SMN2
SCHEMBL3716998 0.86 PIK3CG (0.79) PIK3CGPIK3CACYP3A4DYRK1ASMN1; SMN2
SCHEMBL19807983 0.85 DYRK1A (0.79) PIK3CGPIK3CACYP3A4DYRK1ASMN1; SMN2
SCHEMBL30561486 0.85 DYRK1A (0.79) PIK3CGPIK3CACYP3A4DYRK1ASMN1; SMN2

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 16/4885PIK3CA 15/4885CYP3A4 4200/4885

“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.