SCHEMBL627366

SCHEMBL627366

N#Cc1c(N2CCOCC2)sc(-c2nnn[nH]2)c1Cc1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.40
MTOR P42345 6/20 0.40
PIK3R1 P27986 12/20 0.39
PIK3CD O00329 4/20 0.39
PIK3CB P42338 4/20 0.39
PIK3CG P48736 4/20 0.39
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL10288142 0.86 PDE10A (0.36) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL10298513 0.84 PDE10A (0.34)
SCHEMBL10288196 0.79 PIK3CA (0.41) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL10288306 0.78 PDE10A (0.37) PIK3CAPIK3CDPIK3CG
SCHEMBL626480 0.78 NPC1 (0.37) PIK3CAPIK3CDPIK3CBPIK3CGNPC1
SCHEMBL10006318 0.76 PIK3CA (0.51) PIK3CAPIK3R1PIK3CDPIK3CBNPC1
SCHEMBL623933 0.75 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGNPC1
SCHEMBL6749633 0.74 PIK3CA (0.44) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL622982 0.72 ALDH1A1 (0.44) PIK3CA
SCHEMBL1552162 0.71 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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 16 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
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-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 PIK3CA 5/4885MTOR 86/4885PIK3R1 1/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885MTOR 86/4885PIK3R1 1/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885MTOR 82/4885PIK3R1 1/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885MTOR 82/4885PIK3R1 1/4885

“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.