SCHEMBL1497551

SCHEMBL1497551

O=C(O)N1CCC(O)(c2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.47
PIK3R1 P27986 11/20 0.47
SMN1; SMN2 Q16637 1/20 0.39
MTOR P42345 9/20 0.39
PIK3CD O00329 3/20 0.35
PIK3CB P42338 3/20 0.35
PIK3CG P48736 3/20 0.35
SYK P43405 1/20 0.35
MAP3K9 P80192 1/20 0.35

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
SCHEMBL1867260 0.86 PIK3CA (0.42) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL4441023 0.86 PIK3CA (0.49) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL4435326 0.84 PIK3CA (0.44) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL1861235 0.84 PIK3CA (0.53) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL4447687 0.83 PIK3CA (0.47) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL4446827 0.83 SMN1; SMN2 (0.45) PIK3CAPIK3R1SMN1; SMN2MTOR
Hydrochloric Acid SCHEMBL1859812 0.83 PIK3CA (0.43) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL4446917 0.83 PIK3CA (0.46) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL12265250 0.81 PIK3CA (0.44) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL1857237 0.80 PIK3CA (0.39) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
EP-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B PIK3CA 1/4885PIK3R1 20/4885SMN1; SMN2 3609/4885

“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.