SCHEMBL1858593

SCHEMBL1858593

Fc1ccc(-c2cc3c(N4CCOCC4)nc(Cl)nc3s2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
PIK3CA P42336 8/20 0.47
PIK3CB P42338 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
PIKFYVE Q9Y2I7 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CG P48736 1/20 0.40
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
CNR2 P34972 3/20 0.39
POLB P06746 2/20 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
SCHEMBL1862072 0.88 KDM4E (0.54) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL14034101 0.83 ALDH1A1 (0.74) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL466335 0.83 PIK3CA (0.52) PIK3CAPIK3CBSMN1; SMN2PIKFYVEPIK3CD
SCHEMBL21054255 0.82 KDM4E (0.60) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL1192572 0.80 ADK (0.41) KDM4EPIK3CAPIK3CBSMN1; SMN2PIK3CD
SCHEMBL2725946 0.76 PIK3CA (0.49) PIK3CAPIK3CDPIK3CGATRATRIP
SCHEMBL4446531 0.76 SMN1; SMN2 (0.51) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL4439748 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL21054789 0.76 KDM4E (0.47) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL4433844 0.74 PIK3CA (0.70) KDM4EALDH1A1HPGDMAPK1HSD17B10

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 14 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-20130345217-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2013-12-26 US disclosed
US-8604014-B2 Combinations of phosphoinositide 3-kinase inhibitor compounds chemotherapeutic agents, and methods of use GENENTECH, INC. (US) 2013-12-10 US disclosed
US-8450315-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-28 US disclosed
US-8247397-B2 Combinations of phosphoinositide 3-kinase inhibitor compounds and chemotherapeutic agents, and methods of use GENENTECH, INC. (US) 2012-08-21 US disclosed
US-20110223619-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2011-09-15 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
EP-2205242-A2 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE Genentech, Inc. (US) 2010-07-14 EP disclosed
US-20090098135-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. 2009-04-16 US disclosed
EP-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP disclosed
WO-2009036082-A2 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2009-03-19 WO disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 WO 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 (4 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-20090098135-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE PIK3CA, PIK3CD, AKT3 KDM4E 4543/4885ALDH1A1 3199/4885HPGD 1565/4885
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PIK3CB, PIK3C2B KDM4E 3752/4885ALDH1A1 3343/4885HPGD 2062/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA KDM4E 3626/4885ALDH1A1 2960/4885HPGD 1756/4885
US-20130345217-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE PIK3CA, PIK3CD, AKT3 KDM4E 4543/4885ALDH1A1 3199/4885HPGD 1565/4885

“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.