SCHEMBL21552722

SCHEMBL21552722

N=c1ccc2cnc3ccc(-c4ccc(N)nc4)cc3c2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.80
PIK3CA P42336 10/20 0.80
PIK3CD O00329 2/20 0.80
ATM Q13315 2/20 0.80
PIK3C2A O00443 1/20 0.80
PIK3C2B O00750 1/20 0.80
PIK3R1 P27986 1/20 0.80
PIK3CB P42338 1/20 0.80
PIK3CG P48736 1/20 0.80
PRKDC P78527 1/20 0.80
ATR Q13535 1/20 0.80
RPTOR Q8N122 1/20 0.80
PIK3C3 Q8NEB9 1/20 0.80
MLST8 Q9BVC4 1/20 0.80
MKNK2 Q9HBH9 1/20 0.80
PI4KB Q9UBF8 1/20 0.80
LCK P06239 1/20 0.52
LYN P07948 1/20 0.52
SRC P12931 1/20 0.52
EPHA1 P21709 1/20 0.52

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
SCHEMBL30925813 1.00 MTOR (0.80) MTORPIK3CAPIK3CDATMPIK3C2A
SCHEMBL6876328 0.89 PIK3CA (1.00) MTORPIK3CAPIK3CDATMPIK3C2A
SCHEMBL29352777 0.89 PIK3CA (1.00) MTORPIK3CAPIK3CDATMPIK3C2A
SCHEMBL30214466 0.89 PIK3CA (1.00) MTORPIK3CAPIK3CDATMPIK3C2A
SCHEMBL21552689 0.87 PIK3CA (0.60) MTORPIK3CAPIK3CDATMPIK3C2A
SCHEMBL30925792 0.87 PIK3CA (0.60) MTORPIK3CAPIK3CDATMPIK3C2A
SCHEMBL16730758 0.83 MTOR (0.76) MTORPIK3CAPIK3CDATMPIK3C2A
SCHEMBL16730760 0.81 MTOR (0.73) MTORPIK3CAPIK3CDATMPIK3C2A
SCHEMBL29454798 0.81 MTOR (0.72) MTORPIK3CAPIK3CDATMPIK3C2A
SCHEMBL16730901 0.80 PIK3CA (0.84) MTORPIK3CAPIK3CDATMPIK3C2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206551-A Quinoline compounds, their preparation and their use as antimalarial agents 美国卫生和人力服务部 2024-06-18 CN disclosed
US-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-06-24 US disclosed
US-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-06-24 US disclosed
EP-3790878-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2021-03-17 EP disclosed
CN-112334468-A Quinoline compounds, their preparation and use as antimalarial agents 美国卫生和人力服务部 2021-02-05 CN disclosed
WO-2019217957-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-11-14 WO disclosed
WO-2019217957-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-11-14 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-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS GLS2, RECQL, PYGL MTOR 2070/4885PIK3CA 2718/4885PIK3CD 2064/4885

“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.