SCHEMBL5114460

SCHEMBL5114460

O=C(NO)c1cc2nc(Cl)nc(N3CCOCC3)c2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.59
PIK3R1 P27986 9/20 0.59
MTOR P42345 5/20 0.49
PIK3CD O00329 3/20 0.47
PIK3CB P42338 3/20 0.47
PIK3CG P48736 2/20 0.47
AKT1 P31749 1/20 0.47
PIKFYVE Q9Y2I7 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 2/20 0.42
PRKDC P78527 2/20 0.41
HDAC4 P56524 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL4441886 0.88 PIK3CA (0.53) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1284650 0.88 PIK3CA (0.76) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL21054580 0.87 PIK3CA (0.53) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1285143 0.87 PIK3CA (0.76) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1858936 0.87 PIK3CA (0.64) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL26079031 0.86 PIK3CA (0.60) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL30366668 0.86 PIK3CA (0.52) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL26072652 0.86 PIK3CA (0.52) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL21054018 0.86 PIKFYVE (0.60) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL30366592 0.84 PIK3CA (0.50) PIK3CAPIK3R1MTORPIK3CDPIK3CB

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-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 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-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885PIK3R1 16/4885MTOR 11/4885

“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.