Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6470128

COc1cc2nc(Nc3nc(O)c4cc(OCCN5CCN(CCO)CC5)ccc4n3)nc(C)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
AURKA O14965 1/20 0.39
RAF1 P04049 5/20 0.39
DRD3 P35462 1/20 0.39
WHR1 P49842 3/20 0.38
EHMT2 Q96KQ7 1/20 0.38
MCHR1 Q99705 1/20 0.38
RET P07949 2/20 0.38
PPARG P37231 1/20 0.38
AVPR1B P47901 1/20 0.38
BRAF P15056 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
PSMD14 O00487 1/20 0.37
APAF1 O14727 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL6471240 0.95 RET (0.43) AURKARAF1DRD3WHR1EHMT2
Trifluoroacetic Acid SCHEMBL6469150 0.94 RET (0.42) RAF1WHR1EHMT2MCHR1RET
Trifluoroacetic Acid SCHEMBL6469209 0.93 RET (0.43) EHMT2RETAVPR1BACHEKDM4E
Trifluoroacetic Acid SCHEMBL6467465 0.90 MAPT (0.39) AURKAWHR1EHMT2KDM4EMEN1
Trifluoroacetic Acid SCHEMBL6468678 0.90 HRH3 (0.46) EHMT2RETAVPR1B
SCHEMBL6470132 0.89 PDK1 (0.39) PDK1PDK2AURKARAF1DRD3
Trifluoroacetic Acid SCHEMBL6467099 0.88 RET (0.40) PDK2RAF1WHR1EHMT2MCHR1
Trifluoroacetic Acid SCHEMBL6469094 0.88 WHR1 (0.37) AURKAWHR1EHMT2KDM4EMEN1
Trifluoroacetic Acid SCHEMBL6469205 0.88 KDM4E (0.36) AURKARAF1WHR1EHMT2KDM4E
Trifluoroacetic Acid SCHEMBL6467993 0.87 RAF1 (0.47) RAF1RETAVPR1B

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 PDK1 2784/4885PDK2 1267/4885AURKA 1070/4885

“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.