SCHEMBL5101883

SCHEMBL5101883

CN(Cc1cc2c(N3CCOCC3)nc(Cl)nc2s1)C(=O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.46
PIK3CB P42338 5/20 0.46
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42
PLOD1 Q02809 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MTOR P42345 5/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.39
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
PRKDC P78527 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL5139891 0.90 HSD17B10 (0.49) PIK3CAPIK3CBSMN1; SMN2MEN1MTOR
SCHEMBL4438945 0.85 PIK3CA (0.66) PIK3CAPIK3CBMTOR
SCHEMBL5138967 0.83 PIK3CA (0.50) PIK3CAPIK3CBSMN1; SMN2MEN1MTOR
SCHEMBL4437621 0.81 PIK3CA (0.53) PIK3CAPIK3CBSMN1; SMN2MTORALDH1A1
SCHEMBL4440313 0.77 PIK3CA (0.43) PIK3CAPIK3CBSMN1; SMN2MEN1MTOR
SCHEMBL4436772 0.76 PIK3CA (0.54) PIK3CAPIK3CBMTORALDH1A1TP53
SCHEMBL4445368 0.76 PIK3CA (0.70) PIK3CAPIK3CBMTORALDH1A1TP53
SCHEMBL1862478 0.75 PIK3CA (0.67) PIK3CAPIK3CBSMN1; SMN2MEN1MTOR
SCHEMBL5139108 0.75 PIK3CA (0.47) PIK3CAPIK3CBSMN1; SMN2KMT2AALDH1A1
SCHEMBL4436583 0.74 PIK3CA (0.72) PIK3CAPIK3CBSMN1; SMN2MTORALDH1A1

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 1/4885PIK3CB 15/4885PLOD2 4301/4885

“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.