SCHEMBL16719263

SCHEMBL16719263

Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCN(C(=O)O)CC6)c(C(F)(F)F)c5)c4c3c2)cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.70
PIK3CA P42336 5/20 0.69
PIK3CD O00329 2/20 0.67
PIK3C2A O00443 2/20 0.67
PIK3C2B O00750 2/20 0.67
PIK3R1 P27986 2/20 0.67
PIK3CG P48736 2/20 0.67
PRKDC P78527 2/20 0.67
RPTOR Q8N122 2/20 0.67
PIK3C3 Q8NEB9 2/20 0.67
MLST8 Q9BVC4 2/20 0.67
PI4KB Q9UBF8 2/20 0.67
CDC42BPA Q5VT25 1/20 0.67
RICTOR Q6R327 1/20 0.67
MAPKAP1 Q9BPZ7 1/20 0.67
PIK3CB P42338 1/20 0.61
ATM Q13315 1/20 0.61
ATR Q13535 1/20 0.61
MKNK2 Q9HBH9 1/20 0.61
TEC P42680 1/20 0.57

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
SCHEMBL18068255 0.91 MTOR (0.81) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL16719179 0.91 MTOR (0.68) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL20421419 0.89 MTOR (0.57) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL6875392 0.88 MTOR (0.80) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL6877957 0.86 MTOR (0.81) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL16730769 0.86 MTOR (0.63) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL18068256 0.86 MTOR (0.67) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL16719267 0.86 MTOR (0.64) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL20897325 0.86 MTOR (0.64) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL16719264 0.85 MTOR (0.61) MTORPIK3CAPIK3CDPIK3C2APIK3C2B

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-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.