SCHEMBL406624

SCHEMBL406624

CN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(-c4cccnc4)ccn23)cnc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 1.00
MTOR P42345 10/20 1.00
KDR P35968 4/20 0.52
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA3 P34903 1/20 0.48
FLT3 P36888 2/20 0.47
FGFR3 P22607 1/20 0.43
NEK2 P51955 1/20 0.42

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
SCHEMBL380520 0.90 PIK3CA (1.00) PIK3CAMTORKDRGABRG2GABRB3
SCHEMBL407547 0.90 PIK3CA (1.00) PIK3CAMTORKDRFLT3FGFR3
SCHEMBL406625 0.86 PIK3CA (0.75) PIK3CAMTORKDRGABRG2GABRB3
SCHEMBL409921 0.82 PIK3CA (0.74) PIK3CAMTOR
SCHEMBL7900395 0.81 PIK3CA (0.72) PIK3CAMTORKDRGABRG2GABRB3
SCHEMBL380381 0.77 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL402271 0.76 PIK3CA (0.74) PIK3CAMTOR
SCHEMBL381071 0.76 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL3476586 0.75 PIK3CA (0.74) PIK3CAMTORKDRFLT3
SCHEMBL380724 0.74 PIK3CA (0.72) PIK3CAMTOR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729074-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2014-05-20 US claimed
US-20120071474-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2012-03-22 US claimed
EP-2408773-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2012-01-25 EP claimed
WO-2010108074-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2010-09-23 WO claimed
US-8729074-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2014-05-20 US disclosed
US-8729074-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2014-05-20 US disclosed
US-8729074-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2014-05-20 US disclosed
US-20120071474-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2012-03-22 US disclosed
US-20120071474-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2012-03-22 US disclosed
US-20120071474-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2012-03-22 US disclosed
EP-2408773-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2012-01-25 EP disclosed
WO-2010108074-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2010-09-23 WO disclosed
WO-2010108074-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2010-09-23 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 (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-20120071474-A1 INHIBITORS OF PI3 KINASE PIK3CA, PIK3CD, PIK3CG PIK3CA 1/4885MTOR 23/4885KDR 975/4885

“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.