SCHEMBL16730995

SCHEMBL16730995

O=c1ccc2cnc3ccc(-c4ccc5[nH]ccc5c4)cc3c2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.70
MTOR P42345 4/20 0.70
PIK3CD O00329 1/20 0.70
PIK3C2A O00443 1/20 0.70
PIK3C2B O00750 1/20 0.70
PIK3R1 P27986 1/20 0.70
PIK3CB P42338 1/20 0.70
PIK3CG P48736 1/20 0.70
PRKDC P78527 1/20 0.70
ATM Q13315 1/20 0.70
ATR Q13535 1/20 0.70
RPTOR Q8N122 1/20 0.70
PIK3C3 Q8NEB9 1/20 0.70
MLST8 Q9BVC4 1/20 0.70
MKNK2 Q9HBH9 1/20 0.70
PI4KB Q9UBF8 1/20 0.70

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
SCHEMBL18045499 0.88 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16719216 0.88 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16730764 0.86 PIK3CA (0.71) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16730917 0.86 PIK3CA (0.79) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16719250 0.86 PIK3CA (0.79) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16730920 0.85 PIK3CA (0.73) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16719237 0.85 PIK3CA (0.78) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL22587587 0.85 PIK3CA (0.69) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL30081187 0.85 PIK3CA (0.69) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL22606987 0.84 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3C2APIK3C2B

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 PIK3CA 1958/4885MTOR 320/4885PIK3CD 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.