SCHEMBL171977

SCHEMBL171977

CC(C)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1cncc(S(=O)(=O)N(C)C)c1)CC2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GCK P35557 2/20 0.42
LMNA P02545 4/20 0.39
PRNP P04156 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL799087 0.92 PIK3CG (0.51) PIK3CGMEN1KMT2AGCKLMNA
SCHEMBL798939 0.91 PIK3CG (0.50) PIK3CGMEN1KMT2AGCKLMNA
SCHEMBL798644 0.87 PIK3CG (0.66) PIK3CGMEN1KMT2AMAPTGCK
SCHEMBL171976 0.85 PIK3CG (0.49) PIK3CGALDH1A1GCKPIK3CD
SCHEMBL799272 0.85 PIK3CG (0.51) PIK3CGKDM4EGCKLMNA
SCHEMBL799081 0.85 PIK3CG (0.51) PIK3CGMEN1KMT2AGCKLMNA
SCHEMBL799350 0.84 GCK (0.47) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL799354 0.83 GCK (0.49) PIK3CGMEN1KMT2AKDM4EL3MBTL1
SCHEMBL805099 0.82 PIK3CG (0.47) PIK3CGMEN1KMT2ALMNAPIK3CD
SCHEMBL172045 0.82 PIK3CG (0.54) PIK3CGMEN1KMT2AALDH1A1MAPT

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 3 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
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP 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.