SCHEMBL1551709

SCHEMBL1551709

Clc1ccc(-c2nc(N3CCOCC3)sc2-c2nnc[nH]2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
AR P10275 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
ALOX15 P16050 1/20 0.40
CRHR1 P34998 1/20 0.38
CNR2 P34972 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
MAOA P21397 1/20 0.36
MAPK1 P28482 1/20 0.36
ALPL P05186 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 2/20 0.35

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
SCHEMBL11902997 0.81 RAB9A (0.44) RAB9ANPC1ARSMN1; SMN2MAPT
SCHEMBL11917975 0.80 AR (0.40) RAB9ANPC1ARSMN1; SMN2MAPT
SCHEMBL11903039 0.79 RAB9A (0.42) RAB9ANPC1ARSMN1; SMN2MAPT
SCHEMBL1552141 0.77 PIK3CA (0.71) RAB9ANPC1ARPIK3CAMTOR
SCHEMBL6726845 0.76 PIK3CA (0.53) RAB9ANPC1ARSMN1; SMN2MAPT
SCHEMBL6748729 0.74 PIK3CA (0.68) RAB9ANPC1ARPIK3CAMTOR
SCHEMBL3135056 0.74 RAB9A (0.56) RAB9ANPC1ARSMN1; SMN2MAPT
SCHEMBL6726829 0.74 PIK3CA (0.51) RAB9ANPC1ARSMN1; SMN2MAPT
SCHEMBL1552044 0.72 PIK3CD (0.55) RAB9ANPC1ARSMN1; SMN2MAPT
SCHEMBL11903299 0.72 ESR1 (0.38) RAB9ANPC1ARSMN1; SMN2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
EP-2313399-B1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARM INC (US) 2014-05-28 EP disclosed
EP-2313399-B1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARM INC (US) 2014-05-28 EP disclosed
US-20130217689-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20130217689-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20130217689-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-8440664-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20120202812-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-8183240-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183240-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183240-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
EP-2313399-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-04-27 EP disclosed
US-20100075951-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-20100075951-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-20100075951-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
WO-2009154741-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
WO-2009154741-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-23 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-20100075951-A1 Heteroaryls and uses thereof PIK3R3, AKT1S1, PIK3R1 RAB9A 2320/4885NPC1 3121/4885AR 919/4885
US-20130217689-A1 HETEROARYLS AND USES THEREOF PIK3R3, AKT1S1, PIK3R1 RAB9A 2320/4885NPC1 3121/4885AR 919/4885
US-20120202812-A1 HETEROARYLS AND USES THEREOF PIK3R3, AKT1S1, PIK3R1 RAB9A 2320/4885NPC1 3121/4885AR 919/4885
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K TLR9, PIK3CD, PIK3R5 RAB9A 1128/4885NPC1 1969/4885AR 4654/4885

“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.