SCHEMBL1856986

SCHEMBL1856986

O=C(O)c1cc2c(N3CCOCC3)nc(Cl)nc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.52
PIK3R1 P27986 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 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
SCHEMBL4446531 0.81 SMN1; SMN2 (0.51) PIK3CAPIK3R1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL190241 0.81 SMN1; SMN2 (0.48) PIK3CASMN1; SMN2HSD17B10ALDH1A1KDM4E
SCHEMBL1284650 0.80 PIK3CA (0.76) PIK3CAPIK3R1SMN1; SMN2HSD17B10PIK3CB
SCHEMBL4434053 0.80 PIK3CA (0.50) PIK3CAPIK3R1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4439748 0.79 KDM4E (0.61) PIK3CASMN1; SMN2HSD17B10ALDH1A1KDM4E
SCHEMBL4441865 0.79 SMN1; SMN2 (0.49) PIK3CASMN1; SMN2HSD17B10ALDH1A1KDM4E
SCHEMBL8199168 0.79 SMN1; SMN2 (0.49) PIK3CASMN1; SMN2HSD17B10ALDH1A1KDM4E
SCHEMBL1860340 0.79 SMN1; SMN2 (0.44) PIK3CAPIK3R1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4437399 0.78 PIK3CA (0.55) PIK3CAPIK3R1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4068550 0.78 SMN1; SMN2 (0.45) PIK3CAPIK3R1SMN1; SMN2HSD17B10ALDH1A1

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.