SCHEMBL622834

SCHEMBL622834

O=C(O)c1sc(N2CCOCC2)nc1Cc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.54
PIK3CB P42338 13/20 0.54
CYP3A4 P08684 7/20 0.54
PIK3CA P42336 7/20 0.54
PIK3CG P48736 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL15925454 0.90 PIK3CD (0.48) PIK3CDPIK3CBCYP3A4PIK3CAPIK3CG
SCHEMBL10006011 0.89 PIK3CD (0.55) PIK3CDPIK3CBCYP3A4PIK3CAPIK3CG
SCHEMBL10298363 0.88 PIK3CD (0.59) PIK3CDPIK3CBCYP3A4PIK3CAPIK3CG
SCHEMBL10298356 0.88 PIK3CD (0.60) PIK3CDPIK3CBCYP3A4PIK3CAPIK3CG
SCHEMBL10298347 0.86 CETP (0.57) PIK3CDPIK3CBCYP3A4PIK3CAPIK3CG
SCHEMBL10308532 0.85 ALOX5 (0.52) PIK3CDPIK3CBCYP3A4PIK3CAPIK3CG
SCHEMBL10298341 0.85 PIK3CD (0.50) PIK3CDPIK3CBCYP3A4PIK3CAPIK3CG
SCHEMBL10308587 0.85 ALOX5 (0.52) PIK3CDPIK3CBCYP3A4PIK3CAPIK3CG
SCHEMBL626320 0.85 PIK3CD (0.52) PIK3CDPIK3CBCYP3A4PIK3CAPIK3CG
SCHEMBL624286 0.85 MAPT (0.48) PIK3CDPIK3CBCYP3A4PIK3CAALDH1A1

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 22 patents — showing the first 20. 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-8796271-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-8796268-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
CN-103153300-A Heteroaryls and uses thereof MILLENNIUM PHARM INC 2013-06-12 CN 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
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 PIK3CD 18/4885PIK3CB 19/4885CYP3A4 958/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CD 18/4885PIK3CB 19/4885CYP3A4 958/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CD 19/4885PIK3CB 18/4885CYP3A4 694/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CD 19/4885PIK3CB 18/4885CYP3A4 694/4885

“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.