Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14634685

Cc1[nH]nc(Nc2ccnc(Nc3ccc(F)c(S(C)(=O)=O)c3)n2)c1C.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.46
▸ AURKA O14965 7/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ HIPK2 Q9H2X6 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ CDK4 P11802 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ BRD4 O60885 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ RIPK2 O43353 2/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ NPC1 O15118 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
SCHEMBL14650748 0.93 GRM4 (0.53) GRM4AURKACDK2MAP4K4PIM1
Trifluoroacetic Acid SCHEMBL14634114 0.87 GRM4 (0.43) GRM4AURKACDK2MAP4K4PIM1
Trifluoroacetic Acid SCHEMBL14634188 0.86 GRM4 (0.49) GRM4AURKACDK2MAP4K4PIM1
Trifluoroacetic Acid SCHEMBL14634212 0.86 GRM4 (0.43) GRM4AURKACDK2MAP4K4PIM1
SCHEMBL14650590 0.84 CDK2 (0.43) GRM4AURKACDK2MAP4K4PIM1
SCHEMBL14650714 0.83 BTK (0.48) AURKACDK2MAP4K4PIM1MAPK8
SCHEMBL14650318 0.81 AURKA (0.47) GRM4AURKACDK2AURKBBRD4
Trifluoroacetic Acid SCHEMBL14634751 0.81 BTK (0.43) AURKACDK2MAP4K4PIM1MAPK8
Trifluoroacetic Acid SCHEMBL14634177 0.80 RIPK2 (0.44) GRM4AURKACDK2MAP4K4PIM1
Trifluoroacetic Acid SCHEMBL14634337 0.80 AURKA (0.41) AURKACDK2MAP4K4PIM1MAPK8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 — — US 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-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 GRM4 3206/4885AURKA 70/4885CDK2 1/4885

“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.

Send feedback