SCHEMBL4434053

SCHEMBL4434053

OCc1cc2c(N3CCOCC3)nc(Cl)nc2s1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.50
PIK3R1 P27986 7/20 0.50
MTOR P42345 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PIK3CB P42338 6/20 0.43
HTR6 P50406 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL4068550 0.90 SMN1; SMN2 (0.45) PIK3CAPIK3R1MTORSMN1; SMN2KDM4E
SCHEMBL1181730 0.84 PIK3CA (0.53) PIK3CASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL466308 0.84 SMN1; SMN2 (0.47) PIK3CASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4446531 0.83 SMN1; SMN2 (0.51) PIK3CAPIK3R1SMN1; SMN2KDM4EALDH1A1
SCHEMBL13640276 0.83 PIK3CA (0.52) PIK3CASMN1; SMN2PIK3CBHRH3
SCHEMBL1181231 0.81 PIK3CA (0.50) PIK3CASMN1; SMN2PIK3CBHRH3
SCHEMBL4441865 0.81 SMN1; SMN2 (0.49) PIK3CASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL8199168 0.81 SMN1; SMN2 (0.49) PIK3CASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL190250 0.81 PIK3CA (0.50) PIK3CASMN1; SMN2PIK3CB
SCHEMBL190119 0.81 PIK3CA (0.66) PIK3CASMN1; SMN2PIK3CBHTR6

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 5 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
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 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
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO 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.