Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL754788

COc1cccc(CC(=O)Nc2cc(-c3c(Nc4ccn(C)n4)nc4ccccn34)nc(C)n2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.62
PIK3CA P42336 5/20 0.62
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NTSR1 P30989 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
ROCK1 Q13464 1/20 0.37
POLB P06746 1/20 0.37
CACNA1G O43497 2/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1I Q9P0X4 2/20 0.36
ADRB2 P07550 1/20 0.36
ATM Q13315 1/20 0.36
CSNK1D P48730 1/20 0.36

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
SCHEMBL752642 0.95 MTOR (0.69) MTORPIK3CAMAPTLMNAMEN1
SCHEMBL755854 0.86 MTOR (0.71) MTORPIK3CAMAPTL3MBTL1ALDH1A1
SCHEMBL11029468 0.82 MTOR (0.76) MTORPIK3CALMNAALDH1A1CSNK1D
SCHEMBL754787 0.82 MTOR (0.61) MTORPIK3CA
SCHEMBL2787610 0.78 MTOR (1.00) MTORPIK3CALMNARAB9ACSNK1D
SCHEMBL756436 0.78 MTOR (0.76) MTORPIK3CALMNAALDH1A1CSNK1D
SCHEMBL11031102 0.70 MTOR (0.77) MTORPIK3CALMNAALDH1A1
SCHEMBL751580 0.70 MTOR (0.71) MTORPIK3CA
SCHEMBL757042 0.69 MTOR (0.78) MTORPIK3CALMNAALDH1A1
SCHEMBL11028255 0.68 MTOR (0.53) MTORPIK3CALMNAALDH1A1RAB9A

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 MTOR 21/4885PIK3CA 1/4885MAPT 3169/4885

“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.