Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6468628

COc1cc2nc(Nc3nc(O)c4cc(OCCNC(C)c5cccnc5)ccc4n3)nc(C)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.34
WHR1 P49842 2/20 0.34
EHMT2 Q96KQ7 1/20 0.34
ADORA3 P0DMS8 4/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
BRAF P15056 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AURKA O14965 1/20 0.33
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PSMD14 O00487 1/20 0.33
APAF1 O14727 1/20 0.33
MITF O75030 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6470339 0.86 BRAF (0.40) MAPTALDH1A1BRAFHSD17B10AURKA
Trifluoroacetic Acid SCHEMBL6469042 0.85 WHR1 (0.37) WHR1EHMT2MAPTALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL6469122 0.85 WHR1 (0.37) WHR1EHMT2MAPTALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL6470145 0.85 MAPT (0.36) WHR1EHMT2MAPTALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL6469336 0.83 MAPT (0.37) WHR1EHMT2MAPTALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL6467995 0.83 FGFR2 (0.41) WHR1EHMT2ADORA2AMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL6468643 0.83 MEN1 (0.38) ALDH1A1HSD17B10KDM4EMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6466263 0.83 MAPT (0.40) WHR1EHMT2MAPTALDH1A1BRAF
Trifluoroacetic Acid SCHEMBL6467465 0.83 MAPT (0.39) WHR1EHMT2MAPTALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL6470209 0.82 MAPT (0.39) WHR1EHMT2MAPTALDH1A1HSD17B10

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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US claimed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO claimed
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US disclosed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections POLI, POLK, POLB ADORA2B 4191/4885WHR1 4034/4885EHMT2 2664/4885

“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.