SCHEMBL1304420

SCHEMBL1304420

CCn1nnc(CCNC(=O)Nc2nc3cc(Br)ccn3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.44
PIK3CA P42336 8/20 0.44
PIK3CD O00329 5/20 0.44
PIK3CB P42338 5/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
ROCK2 O75116 1/20 0.37
TTK P33981 1/20 0.36
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 5/20 0.35
PKM P14618 1/20 0.35
AHR P35869 1/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL1302939 0.85 PIK3CG (0.43) PIK3CGPIK3CAPIK3CDPIK3CBCLK1
SCHEMBL1302534 0.83 PIK3CG (0.53) PIK3CGPIK3CAPIK3CDPIK3CBCLK1
SCHEMBL1303772 0.80 PIK3CG (0.43) PIK3CGPIK3CAPIK3CDPIK3CBCLK1
SCHEMBL3912369 0.80 ROCK2 (0.44) PIK3CGPIK3CAPIK3CDPIK3CBROCK2
SCHEMBL3688011 0.78 PIK3CG (0.33) PIK3CGPIK3CAPIK3CDPIK3CBCLK1
SCHEMBL13960257 0.75 PIK3CG (0.52) PIK3CGPIK3CAPIK3CDPIK3CBTTK
SCHEMBL1304196 0.75 CLK1 (0.54) PIK3CGPIK3CAPIK3CDPIK3CBCLK1
SCHEMBL1303565 0.75 PIK3CG (0.60) PIK3CGPIK3CAPIK3CDPIK3CBTTK
SCHEMBL1302544 0.74 PIK3CA (0.43) PIK3CGPIK3CAPIK3CDPIK3CBCLK1
SCHEMBL1302670 0.74 MAP3K5 (0.44) PIK3CGPIK3CAPIK3CDPIK3CBCLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US 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-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB PIK3CG 11/4885PIK3CA 1/4885PIK3CD 9/4885

“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.