SCHEMBL4435326

SCHEMBL4435326

OC1(c2cc3nc(Cl)nc(N4CCOCC4)c3s2)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.44
PIK3R1 P27986 13/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
MTOR P42345 9/20 0.40
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
SYK P43405 1/20 0.37
PIK3CG P48736 1/20 0.37
MAP3K9 P80192 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL1859812 0.99 PIK3CA (0.43) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL4441023 0.87 PIK3CA (0.49) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL4447687 0.86 PIK3CA (0.47) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL12265250 0.84 PIK3CA (0.44) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL4441025 0.84 PIK3CA (0.49) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL1497551 0.84 PIK3CA (0.47) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL1870405 0.84 SMN1; SMN2 (0.47) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL1861235 0.82 PIK3CA (0.53) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL4446917 0.81 PIK3CA (0.46) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL4444175 0.81 PIK3CA (0.62) PIK3CAMTORPIK3CDPIK3CBSYK

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 16/4885SMN1; SMN2 1323/4885

“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.