SCHEMBL1620239

SCHEMBL1620239

CNc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1N

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.72
CYP3A4 P08684 2/20 0.71
PIK3CG P48736 12/20 0.66
SMO Q99835 1/20 0.56
PDPK1 O15530 1/20 0.55
DYRK1A Q13627 1/20 0.55

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
SCHEMBL1621511 0.87 PIK3CA (0.76) PIK3CACYP3A4PIK3CGDYRK1A
SCHEMBL1621665 0.86 PIK3CA (0.73) PIK3CACYP3A4PIK3CGSMO
SCHEMBL1620161 0.85 PIK3CA (0.69) PIK3CACYP3A4PIK3CGDYRK1A
SCHEMBL3142719 0.84 PIK3CA (1.00) PIK3CACYP3A4PIK3CGPDPK1DYRK1A
SCHEMBL1621535 0.83 PIK3CA (0.61) PIK3CACYP3A4PIK3CGSMO
SCHEMBL3131485 0.83 PIK3CA (1.00) PIK3CACYP3A4PIK3CGPDPK1DYRK1A
SCHEMBL3137982 0.82 PIK3CA (1.00) PIK3CACYP3A4PIK3CGDYRK1A
SCHEMBL3136731 0.81 PIK3CA (0.78) PIK3CACYP3A4PIK3CGPDPK1DYRK1A
SCHEMBL1653742 0.80 PIK3CG (0.78) PIK3CACYP3A4PIK3CGPDPK1DYRK1A
SCHEMBL3141105 0.80 PIK3CG (1.00) PIK3CACYP3A4PIK3CGDYRK1A

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 11 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 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.