Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL757275

Cc1nc(N)cc(-c2c(Nc3ccn(-c4nc5ccccc5[nH]4)n3)nc3cccnn23)n1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.49
MTOR P42345 15/20 0.49
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL753623 0.93 PIK3CA (0.56) PIK3CAMTORMEN1MAPTKMT2A
SCHEMBL11028826 0.81 PIK3CA (0.57) PIK3CAMTORMEN1MAPTKMT2A
SCHEMBL754000 0.80 PIK3CA (0.58) PIK3CAMTOR
Trifluoroacetic Acid SCHEMBL11027082 0.79 MTOR (0.53) PIK3CAMTOR
SCHEMBL2785390 0.76 MTOR (0.61) PIK3CAMTOR
SCHEMBL2785665 0.76 MTOR (0.64) PIK3CAMTOR
SCHEMBL751618 0.76 MTOR (0.58) PIK3CAMTORALDH1A1
SCHEMBL11029793 0.76 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL751300 0.75 MTOR (0.72) PIK3CAMTOR
SCHEMBL11031064 0.75 MTOR (0.59) PIK3CAMTOR

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
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD PIK3CA 1/4885MTOR 21/4885KDM4E 1665/4885

“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.