SCHEMBL626554

SCHEMBL626554

O=C(NO)c1sc(N2CCOCC2)nc1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.47
PIK3CB P42338 9/20 0.47
PIK3CA P42336 4/20 0.47
ALOX15 P16050 1/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AR P10275 1/20 0.44
CYP3A4 P08684 4/20 0.44
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10006011 0.88 PIK3CD (0.55) PIK3CDPIK3CBPIK3CAALOX15ALDH1A1
SCHEMBL624070 0.83 PIK3CD (0.45) PIK3CDPIK3CBPIK3CAALOX15GAA
SCHEMBL627797 0.81 PIK3CD (0.41) PIK3CDPIK3CBPIK3CAALOX15GAA
SCHEMBL626320 0.80 PIK3CD (0.52) PIK3CDPIK3CBPIK3CAALOX15CYP3A4
SCHEMBL624072 0.80 KMT2A (0.46) PIK3CDPIK3CBPIK3CAALOX15GAA
SCHEMBL627094 0.79 AR (0.51) PIK3CDPIK3CBPIK3CAALOX15GAA
SCHEMBL15925461 0.79 ALOX15 (0.52) PIK3CDPIK3CBPIK3CAALOX15GAA
SCHEMBL622834 0.77 PIK3CD (0.54) PIK3CDPIK3CBPIK3CAALDH1A1MAPT
SCHEMBL10288425 0.77 ALOX15 (0.50) PIK3CDPIK3CBPIK3CAALOX15GAA
1,2-Dichlorobenzene SCHEMBL27905826 0.76 ALDH1A1 (0.63) PIK3CDPIK3CBPIK3CAGAAALDH1A1

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 15 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-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-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
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-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 19/4885PIK3CA 5/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CD 18/4885PIK3CB 19/4885PIK3CA 5/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CD 19/4885PIK3CB 18/4885PIK3CA 5/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CD 19/4885PIK3CB 18/4885PIK3CA 5/4885

“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.