SCHEMBL1857237

SCHEMBL1857237

OC1(c2cc3nc(Cl)nc(N4CCOCC4)c3s2)CCN(c2nccs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.39
PIK3R1 P27986 8/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MTOR P42345 6/20 0.36
PIK3CD O00329 2/20 0.36
PRKDC P78527 1/20 0.36
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
SYK P43405 1/20 0.35
MAP3K9 P80192 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PIK3C2B O00750 1/20 0.35
CCNE2 O96020 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
KDR P35968 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL1864061 0.85 PIK3CA (0.39) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL4441023 0.83 PIK3CA (0.49) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL1867103 0.82 PIK3CA (0.41) PIK3CAPIK3R1SMN1; SMN2MTORKDM4E
SCHEMBL4435326 0.81 PIK3CA (0.44) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL4447687 0.80 PIK3CA (0.47) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL1497551 0.80 PIK3CA (0.47) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
Hydrochloric Acid SCHEMBL1859812 0.80 PIK3CA (0.43) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL1088423 0.80 PIK3CA (0.50) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1861235 0.78 PIK3CA (0.53) PIK3CAPIK3R1SMN1; SMN2MTORPIK3CD
SCHEMBL12265250 0.78 PIK3CA (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046799-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH INC (US) 2017-07-19 EP disclosed
US-8450315-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-28 US disclosed
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-05-05 US disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 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 (2 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-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PIK3CB, PIK3C2B PIK3CA 6/4885PIK3R1 25/4885SMN1; SMN2 1342/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA PIK3CA 1/4885PIK3R1 27/4885SMN1; SMN2 1774/4885

“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.