SCHEMBL172000

SCHEMBL172000

Cc1nc(NC(=O)Nc2ccccc2C(=O)NC(C)C)sc1-c1csc(S(=O)(=O)N(C)CCN(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 2/20 0.38
XIAP P98170 1/20 0.37
PI4KB Q9UBF8 4/20 0.37
KDM4E B2RXH2 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALOX12 P18054 1/20 0.37
POLB P06746 1/20 0.35
PIK3CD O00329 5/20 0.35
PIK3CA P42336 5/20 0.35
PIK3CB P42338 5/20 0.35
PIK3CG P48736 5/20 0.35
PIK3C2A O00443 1/20 0.35
PIK3C2B O00750 1/20 0.35

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
SCHEMBL799156 0.84 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1236897 0.79 PIK3CG (0.48) ALDH1A1MAPTHPGDHTTPI4KB
SCHEMBL799259 0.79 PI4KB (0.39) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL799251 0.74 PIK3CD (0.62) MEN1KMT2AXIAPPI4KBPIK3CD
SCHEMBL774474 0.67 LCK (0.67) ALDH1A1CYP2C9
SCHEMBL171629 0.66 PIK3CD (0.60) XIAPPI4KBPIK3CDPIK3CAPIK3CB
SCHEMBL1235187 0.66 PIK3CG (0.54) ALDH1A1MAPTHPGDHTTPI4KB
SCHEMBL12904134 0.65 PIK3CG (0.48) PI4KBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL799332 0.65 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1235055 0.65 PIK3CG (0.52) ALDH1A1MAPTHPGDHTTPI4KB

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 ALDH1A1 3750/4885MAPT 2574/4885MEN1 2694/4885

“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.