SCHEMBL402628

SCHEMBL402628

CC(C)(C)OC(=O)Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.46
MTOR P42345 7/20 0.44
FGFR3 P22607 10/20 0.40
KDR P35968 10/20 0.40
RORC P51449 1/20 0.36

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
SCHEMBL7913754 0.79 PIK3CA (0.49) PIK3CAMTORFGFR3KDR
SCHEMBL380261 0.76 AAK1 (0.45) RORC
SCHEMBL409921 0.75 PIK3CA (0.74) PIK3CAMTOR
SCHEMBL11925833 0.74 KDR (0.70) FGFR3KDR
SCHEMBL410050 0.71 PIK3CD (0.43) PIK3CAMTORFGFR3KDR
SCHEMBL1699239 0.71 ATR (0.46)
SCHEMBL3188717 0.70 KDR (0.47) FGFR3KDR
SCHEMBL28705728 0.70 ATR (0.45) RORC
SCHEMBL29435550 0.69 RXFP1 (0.46) RORC
SCHEMBL15223288 0.69 ATR (0.44) RORC

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 9 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 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 23/4885FGFR3 464/4885

“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.