SCHEMBL16731007

SCHEMBL16731007

Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4ccc(N)cc4)ccc3ncc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.58
PIK3CA P42336 15/20 0.58
PIK3CD O00329 8/20 0.58
PIK3CG P48736 7/20 0.58
PIK3CB P42338 6/20 0.58
ATM Q13315 4/20 0.58
ATR Q13535 4/20 0.58
PIK3C3 Q8NEB9 3/20 0.58
PIK3C2A O00443 3/20 0.58
PIK3C2B O00750 3/20 0.58
RPTOR Q8N122 3/20 0.58
MLST8 Q9BVC4 3/20 0.58
PIK3R1 P27986 2/20 0.58
PRKDC P78527 2/20 0.58
MKNK2 Q9HBH9 1/20 0.58
PI4KB Q9UBF8 1/20 0.58
ALK Q9UM73 2/20 0.51
CHEK1 O14757 1/20 0.51
ABCB11 O95342 1/20 0.51
CSF1R P07333 1/20 0.51

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
SCHEMBL16719259 0.94 MTOR (0.57) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16730938 0.92 MTOR (0.60) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL14872817 0.91 MTOR (0.71) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16719221 0.89 MTOR (0.53) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL928971 0.87 MTOR (0.56) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL928921 0.87 MTOR (0.67) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL31439384 0.87 MTOR (0.56) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16730937 0.86 MTOR (0.56) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL930012 0.85 MTOR (0.66) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16719228 0.85 MTOR (0.54) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264570-A1 METHOD OF BLOCKING TRANSMISSION OF MALARIAL PARASITE LOYOLA UNIVERSITY OF CHICAGO 2016-09-15 US disclosed
US-20160264570-A1 METHOD OF BLOCKING TRANSMISSION OF MALARIAL PARASITE LOYOLA UNIVERSITY OF CHICAGO 2016-09-15 US disclosed
US-20160264570-A1 METHOD OF BLOCKING TRANSMISSION OF MALARIAL PARASITE LOYOLA UNIVERSITY OF CHICAGO 2016-09-15 US disclosed
WO-2015073804-A2 METHOD OF BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-05-21 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-20160264570-A1 METHOD OF BLOCKING TRANSMISSION OF MALARIAL PARASITE PLK1, TUBA1C, PPT1 MTOR 320/4885PIK3CA 1958/4885PIK3CD 1218/4885

“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.