SCHEMBL626001

SCHEMBL626001

CCOC(=O)c1sc(N2CCOCC2)nc1CBr

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.52
PIK3CD O00329 1/20 0.52
PIK3CB P42338 1/20 0.52
ALDH1A1 P00352 11/20 0.51
KDM4E B2RXH2 8/20 0.51
GAA P10253 4/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 5/20 0.47
HPGD P15428 4/20 0.47
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
MAPK1 P28482 1/20 0.47
CSNK1D P48730 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL19034738 0.90 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL626980 0.85 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL625865 0.85 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL15348875 0.82 PIK3CD (0.46) PIK3CAPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL624286 0.80 MAPT (0.48) PIK3CAPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL2334075 0.80 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL624070 0.79 PIK3CD (0.45) PIK3CAPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL10288781 0.79 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL626884 0.77 ALDH1A1 (0.43) PIK3CAPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL17385269 0.77 ALDH1A1 (0.51) PIK3CAPIK3CDPIK3CBALDH1A1KDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
EP-2603214-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
WO-2012021696-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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-20120172345-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885PIK3CD 18/4885PIK3CB 19/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885PIK3CD 18/4885PIK3CB 19/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885PIK3CD 19/4885PIK3CB 18/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885PIK3CD 19/4885PIK3CB 18/4885

“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.