SCHEMBL1621399

SCHEMBL1621399

CC(=O)Nc1nc2ccc(-c3cnc(C(F)(F)F)c(O)c3)cc2s1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.70
CYP3A4 P08684 2/20 0.70
PIK3CG P48736 12/20 0.62
DYRK1A Q13627 2/20 0.60
AKT1 P31749 1/20 0.57
MTOR P42345 1/20 0.57
PDPK1 O15530 1/20 0.57

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
SCHEMBL1621507 0.84 SMO (0.68) PIK3CACYP3A4PIK3CGAKT1MTOR
SCHEMBL3134302 0.83 PIK3CA (0.79) PIK3CACYP3A4PIK3CGDYRK1AAKT1
SCHEMBL3146231 0.82 PIK3CA (1.00) PIK3CACYP3A4PIK3CGDYRK1AAKT1
SCHEMBL1946980 0.81 PIK3CD (0.76) PIK3CACYP3A4PIK3CGDYRK1AAKT1
SCHEMBL1621394 0.80 PIK3CG (0.59) PIK3CACYP3A4PIK3CGAKT1MTOR
SCHEMBL3146741 0.80 PIK3CA (0.74) PIK3CACYP3A4PIK3CGDYRK1APDPK1
SCHEMBL3141242 0.79 PIK3CA (0.72) PIK3CACYP3A4PIK3CGDYRK1APDPK1
SCHEMBL3712303 0.78 PIK3CG (0.69) PIK3CACYP3A4PIK3CGDYRK1APDPK1
SCHEMBL3142719 0.78 PIK3CA (1.00) PIK3CACYP3A4PIK3CGDYRK1APDPK1
SCHEMBL1621000 0.78 PIK3CG (0.69) PIK3CACYP3A4PIK3CGAKT1MTOR

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
EP-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP claimed
EP-2183232-A2 PI3 KINASE MODULATORS AND METHODS OF USE Amgen, Inc (US) 2010-05-12 EP claimed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US claimed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO claimed
EP-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP disclosed
EP-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
EP-2183232-A2 PI3 KINASE MODULATORS AND METHODS OF USE Amgen, Inc (US) 2010-05-12 EP disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 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 (1 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-20090054405-A1 PI3 kinase modulators and methods of use PIK3CA, PIK3C2A, PIK3C2B PIK3CA 1/4885CYP3A4 3069/4885PIK3CG 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.