SCHEMBL1857072

SCHEMBL1857072

COCC(=O)Nc1cccc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PIK3CA P42336 5/20 0.45
MTOR P42345 3/20 0.45
PRKDC P78527 1/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PIK3CD O00329 4/20 0.43
PIK3CB P42338 4/20 0.43
PIK3CG P48736 4/20 0.43
PIKFYVE Q9Y2I7 1/20 0.43
MOK Q9UQ07 1/20 0.42

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
SCHEMBL1865157 0.90 MEN1 (0.45) MEN1KMT2ANPC1RAB9APIK3CA
SCHEMBL1855555 0.88 PIK3CA (0.48) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL5109688 0.88 PRKDC (0.57) MEN1KMT2ARAB9APIK3CAMTOR
SCHEMBL2818629 0.87 PIKFYVE (0.44) MEN1KMT2ANPC1RAB9APIK3CA
SCHEMBL1859404 0.85 PIK3CA (0.42) MEN1KMT2AALDH1A1LMNAPIK3CA
SCHEMBL1867411 0.85 MTOR (0.47) PIK3CAMTORPRKDCMAPTSMN1; SMN2
SCHEMBL2818631 0.83 PIK3CA (0.45) ALDH1A1LMNAPIK3CAMTORPRKDC
SCHEMBL1864775 0.82 MTOR (0.40) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL1859005 0.82 SMN1; SMN2 (0.47) MEN1KMT2APIK3CAMTORSMN1; SMN2
SCHEMBL1861277 0.82 PIK3CA (0.66) PIK3CAMTORPRKDCPIK3CDPIK3CB

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 MEN1 2092/4885KMT2A 4037/4885ALDH1A1 3343/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA MEN1 1739/4885KMT2A 3750/4885ALDH1A1 2960/4885

“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.