SCHEMBL5139891

SCHEMBL5139891

CN(Cc1cc2c(N3CCOCC3)nc(Cl)nc2s1)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
TP53 P04637 2/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
PIK3CA P42336 6/20 0.47
PIK3CB P42338 4/20 0.47
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MTOR P42345 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
P2RY12 Q9H244 4/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL5101883 0.90 PIK3CA (0.46) HSD17B10ALDH1A1CYP1A2TP53ALOX15
SCHEMBL5138967 0.87 PIK3CA (0.50) HSD17B10ALDH1A1CYP1A2TP53ALOX15
SCHEMBL4436772 0.86 PIK3CA (0.54) HSD17B10ALDH1A1CYP1A2TP53ALOX15
SCHEMBL4445368 0.83 PIK3CA (0.70) HSD17B10ALDH1A1CYP1A2TP53ALOX15
SCHEMBL4440313 0.80 PIK3CA (0.43) HSD17B10ALDH1A1PIK3CAPIK3CBTSHR
SCHEMBL1862478 0.79 PIK3CA (0.67) HSD17B10ALDH1A1ALOX15PIK3CAPIK3CB
SCHEMBL5139108 0.79 PIK3CA (0.47) HSD17B10ALDH1A1CYP1A2PIK3CAPIK3CB
SCHEMBL4440200 0.79 PIK3CA (0.56) HSD17B10ALDH1A1CYP1A2TP53ALOX15
SCHEMBL4434053 0.77 PIK3CA (0.50) HSD17B10ALDH1A1PIK3CAPIK3CBTSHR
SCHEMBL1180289 0.76 PIK3CA (0.69) ALDH1A1PIK3CAPIK3CBKDM4ESMN1; 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 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 HSD17B10 1532/4885ALDH1A1 4026/4885CYP1A2 1380/4885

“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.