SCHEMBL1864149

SCHEMBL1864149

COc1cccc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
MTOR P42345 8/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
PIK3CA P42336 10/20 0.48
PIK3R1 P27986 6/20 0.48
GAK O14976 1/20 0.48
PIKFYVE Q9Y2I7 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL14034104 0.87 NPY5R (0.57) TSHRMAPK1MEN1USP2ALDH1A1
SCHEMBL1862105 0.84 MTOR (0.53) TSHRMAPK1ALDH1A1LMNAMTOR
SCHEMBL21054518 0.84 PIK3CA (0.53) MTORPIK3CAPIK3R1PIKFYVENPY5R
SCHEMBL5108651 0.83 PIK3CA (0.50) TSHRMAPK1ALDH1A1LMNAMTOR
SCHEMBL4440815 0.82 MTOR (0.70) TSHRMAPK1ALDH1A1LMNAMTOR
SCHEMBL4439692 0.82 SMN1; SMN2 (0.47) CYP1A2MAPK1CYP2C19MEN1ALDH1A1
SCHEMBL4556014 0.82 SMN1; SMN2 (0.52) MTORSMN1; SMN2PIK3CAPIK3R1GAK
SCHEMBL5108968 0.82 PIK3CA (0.56) MTORPIK3CAPIK3R1PIKFYVENPY5R
SCHEMBL5110172 0.82 MTOR (0.47) TSHRMAPK1ALDH1A1LMNAMTOR
SCHEMBL4555504 0.82 PIKFYVE (0.48) TSHRMAPK1ALDH1A1LMNAMTOR

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 CYP1A2 4386/4885CYP3A4 4660/4885TSHR 4082/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA CYP1A2 1817/4885CYP3A4 1568/4885TSHR 3822/4885

“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.