SCHEMBL4556149

SCHEMBL4556149

Cc1csc2nc(Cl)nc(N3CCOCC3)c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
PRKCI P41743 1/20 0.42
PIK3CA P42336 2/20 0.40
AR P10275 1/20 0.40
MAPK1 P28482 4/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR1 P03372 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
KHK P50053 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
CRHR1 P34998 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL4441440 0.80 MTOR (0.49) PIK3CA
SCHEMBL4441433 0.80 MTOR (0.49) PIK3CA
SCHEMBL4433863 0.80 ADORA2A (0.41) PRKCIPIK3CAPOLBKMT2AESR1
SCHEMBL14965235 0.78 LMNA (0.68) SMN1; SMN2ARLMNAKMT2AESR1
SCHEMBL11814934 0.78 SMN1; SMN2 (0.49) SMN1; SMN2PIK3CAARMAPK1LMNA
SCHEMBL1181305 0.78 PIK3CA (0.60) SMN1; SMN2PRKCIPIK3CAARMAPK1
SCHEMBL2572660 0.77 PIK3CA (0.41) SMN1; SMN2PIK3CAKMT2AALDH1A1HPGD
SCHEMBL4437444 0.75 PIK3CA (0.69) PIK3CA
SCHEMBL20665434 0.75 SMN1; SMN2 (0.40) SMN1; SMN2LMNAKMT2AALDH1A1HPGD
SCHEMBL18997684 0.74 NPSR1 (0.60) SMN1; SMN2PRKCIPIK3CAARMAPK1

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 SMN1; SMN2 1323/4885PRKCI 307/4885PIK3CA 1/4885

“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.