SCHEMBL3516241

SCHEMBL3516241

Cn1c(=O)n(-c2cccnc2)c2c3cc(Br)ccc3ncc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.54
PIK3CD O00329 7/20 0.54
MTOR P42345 7/20 0.54
PIK3CG P48736 6/20 0.54
PIK3CB P42338 5/20 0.54
AKT1 P31749 1/20 0.53
ATM Q13315 4/20 0.46
ATR Q13535 4/20 0.46
KCNH2 Q12809 1/20 0.46
PIK3C2A O00443 2/20 0.44
PIK3C2B O00750 2/20 0.44
MET P08581 2/20 0.44
CHEK1 O14757 1/20 0.44
ABCB11 O95342 1/20 0.44
CSF1R P07333 1/20 0.44
PIK3R1 P27986 1/20 0.44
LTK P29376 1/20 0.44
CDK7 P50613 1/20 0.44
NEK2 P51955 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL7870052 0.87 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3512245 0.84 MTOR (0.57) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL5655076 0.82 PIK3CA (0.56) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3514850 0.81 PIK3CA (0.48) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3512304 0.81 MTOR (0.53) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL2067585 0.81 MTOR (0.48) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL14872836 0.81 MTOR (0.52) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL31439329 0.81 MTOR (0.52) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL2067571 0.81 MTOR (0.63) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3514219 0.81 PIK3CA (0.45) PIK3CAPIK3CDMTORPIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 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-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS PRKCA, ABL1, MYLK2 PIK3CA 83/4885PIK3CD 72/4885MTOR 326/4885

“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.