SCHEMBL190206

SCHEMBL190206

CSc1nc(N2CCOCC2)c2sc(CN3CCN(S(C)(=O)=O)CC3)cc2n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.77
PIK3R1 P27986 3/20 0.77
PIK3CD O00329 14/20 0.69
PIK3CB P42338 12/20 0.69
PIK3CG P48736 11/20 0.69
MTOR P42345 4/20 0.66
PIK3C2A O00443 1/20 0.60
PLK4 O00444 1/20 0.60
PIK3R2 O00459 1/20 0.60
PIK3C2B O00750 1/20 0.60
GAK O14976 1/20 0.60
EPHB6 O15197 1/20 0.60
DAPK3 O43293 1/20 0.60
STK16 O75716 1/20 0.60
PIK3C2G O75747 1/20 0.60
NTRK1 P04629 1/20 0.60
NQO2 P16083 1/20 0.60
CSNK2A2 P19784 1/20 0.60
JAK1 P23458 1/20 0.60
TYK2 P29597 1/20 0.60

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
SCHEMBL2673635 0.89 KDM4E (0.58) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1181724 0.88 PIK3CA (0.81) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL13059937 0.87 PIK3CA (0.81) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL189763 0.86 PIK3CA (0.80) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL189597 0.84 PIK3CA (0.66) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL190611 0.83 PIK3CA (0.75) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL2672802 0.83 PIK3CD (0.57) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL31323704 0.83 PIK3CA (0.74) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL8216898 0.82 PIK3CA (1.00) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1181083 0.81 PIK3CA (0.79) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 US disclosed
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 US disclosed
EP-2518074-B1 Phosphoinositide 3-kinase inhibitor compounds and methods of use HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
US-8993563-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-31 US disclosed
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-16 US disclosed
US-8802670-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-08-12 US disclosed
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-05-23 US disclosed
US-8383620-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-02-26 US disclosed
EP-2518074-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
EP-2402347-A1 Pharmaceutical compounds F. Hoffmann-La Roche AG (CH) 2012-01-04 EP disclosed
WO-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 WO disclosed
US-7126015-B2 Method for the preparation of hexahydro-furo-[2,3-b]furan-3-ol TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-10-24 US disclosed
US-20040249175-A1 Method for the preparation of hexahydro-furo-[2,3-b]furan-3-ol Janssen Sciences Ireland Unlimited Company (IE) 2004-12-09 US disclosed
EP-1448567-A1 METHOD FOR THE PREPARATION OF HEXAHYDRO-FURO 2,3-B]FURAN-3-OL Tibotec Pharmaceuticals Ltd. (IE) 2004-08-25 EP disclosed
WO-2003022853-A1 METHOD FOR THE PREPARATION OF HEXAHYDRO-FURO[2,3-B]FURAN-3-OL TIBOTEC PHARMACEUTICALS LTD. (IE) 2003-03-20 WO disclosed
US-6297410-B1 1-BROMO-2-CYCLOPROPYLETHYLENE WHICH MAY BE EFFICIENTLY DEHYDROHALOGENATED TO YIELD CYCLOPROPYLACETYLENE, THE CHEMICAL INTERMEDIATE FOR AN HIV REVERSE TRANSCRIPTASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2001-10-02 US disclosed
US-6288297-B1 REACTION OF ALDEHYDE WITH TRICHLOROACETIC ACID OR TRIBROMOACETIC ACID IN THE PRESENCE OF BASE CATALYST TO FORM HALOGENATED ALCOHOL, ETHERIFICATION IN THE PRESENCE OF COUPLING CATALYST AND ACID SCAVENGER DUPONT PHARMACEUTICALS COMPANY 2001-09-11 US disclosed
EP-1000001-A1 A PROCESS FOR THE PREPARATION OF CYCLOPROPYLACETYLENE Dupont Pharmaceuticals Company (US) 2000-05-17 EP disclosed
US-6049019-A Process for the preparation of cyclopropylacetylene DUPONT PHARMACEUTICALS (US) 2000-04-11 US disclosed
WO-1999006341-A1 A PROCESS FOR THE PREPARATION OF CYCLOPROPYLACETYLENE DUPONT PHARMACEUTICALS COMPANY (US) 1999-02-11 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-20040249175-A1 Method for the preparation of hexahydro-furo-[2,3-b]furan-3-ol HAAO, BBOX1, FBP1 PIK3CA 3686/4885PIK3R1 4292/4885PIK3CD 3558/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885PIK3R1 19/4885PIK3CD 2/4885
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885PIK3R1 16/4885PIK3CD 5/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885PIK3R1 19/4885PIK3CD 2/4885

“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.