SCHEMBL410050

SCHEMBL410050

Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
KDR P35968 6/20 0.41
FGFR3 P22607 2/20 0.40
PIK3CA P42336 8/20 0.40
MTOR P42345 6/20 0.40
FLT3 P36888 4/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL29845383 0.79 KDR (0.50) KDRFGFR3FLT3
SCHEMBL379791 0.76 PIK3CA (0.68) PIK3CDPIK3CAMTOR
SCHEMBL409921 0.74 PIK3CA (0.74) PIK3CDPIK3CAMTOR
SCHEMBL402628 0.71 PIK3CA (0.46) KDRFGFR3PIK3CAMTOR
SCHEMBL3782472 0.71 KDR (0.35) KDRFGFR3PIK3CAMTORFLT3
SCHEMBL24656004 0.68 MAPT (0.45) KDRPIK3CAFLT3MEN1NPC1
SCHEMBL38659577 0.67 KDR (0.37) KDRPIK3CAMTORFLT3KDM4E
SCHEMBL3178429 0.67 KDR (0.53) KDRFGFR3FLT3KDM4EMEN1
SCHEMBL13574184 0.67 KDR (0.51) KDRFGFR3PIK3CAMTORFLT3
SCHEMBL116402 0.65

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 PIK3CD 2/4885KDR 975/4885FGFR3 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.