SCHEMBL1867103

SCHEMBL1867103

OC1(c2cc3nc(Cl)nc(N4CCOCC4)c3s2)CCN(c2ccccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.41
PIK3R1 P27986 5/20 0.41
MTOR P42345 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 1/20 0.40
KIF18A Q8NI77 1/20 0.39
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4445699 0.85 PIK3CA (0.39) PIK3CAPIK3R1MTORDRD2
SCHEMBL1857237 0.82 PIK3CA (0.39) PIK3CAPIK3R1MTORKDM4ESMN1; SMN2
SCHEMBL4441023 0.82 PIK3CA (0.49) PIK3CAPIK3R1MTORSMN1; SMN2
SCHEMBL1860553 0.81 PIK3CA (0.39) PIK3CAPIK3R1MTORSMN1; SMN2
SCHEMBL1088407 0.80 PIK3CA (0.51) PIK3CAPIK3R1MTORALDH1A1KDM4E
SCHEMBL4435326 0.80 PIK3CA (0.44) PIK3CAPIK3R1MTORNPSR1SMN1; SMN2
SCHEMBL4447687 0.79 PIK3CA (0.47) PIK3CAPIK3R1MTORSMN1; SMN2
SCHEMBL1497551 0.79 PIK3CA (0.47) PIK3CAPIK3R1MTORSMN1; SMN2
Hydrochloric Acid SCHEMBL1859812 0.79 PIK3CA (0.43) PIK3CAPIK3R1MTORNPSR1SMN1; SMN2
SCHEMBL1639824 0.78 PIK3CA (0.46) PIK3CAPIK3R1

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 25/4885MTOR 86/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA PIK3CA 1/4885PIK3R1 27/4885MTOR 43/4885

“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.