Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3883754

Nc1ncnc(N2CCNCC2)c1C=O.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 5/20 0.40
▸ AKT1 P31749 3/20 0.40
▸ HTR2C P28335 3/20 0.39
▸ HRH4 Q9H3N8 2/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ FLT3 P36888 6/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ HRH3 Q9Y5N1 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
SCHEMBL3889725 0.88 HTR2C (0.47) RPS6KB1AKT1HTR2CFLT3HRH3
Trifluoroacetic Acid SCHEMBL3882180 0.84 FLT3 (0.54) FLT3
Trifluoroacetic Acid SCHEMBL6749589 0.77 NEK2 (0.54) HTR2CHRH4ADORA2AEPHX2HRH3
SCHEMBL3884555 0.77 FLT3 (0.44) RPS6KB1AKT1FLT3
Trifluoroacetic Acid SCHEMBL2794605 0.72 AKT1S1 (0.47) HTR2CHRH4EPHX2HRH3
Trifluoroacetic Acid SCHEMBL4963337 0.71 FLT3 (0.52) RPS6KB1FLT3
Trifluoroacetic Acid SCHEMBL2421451 0.71 CYP2D6 (0.45) HRH4EPHX2HRH3
SCHEMBL14596991 0.70 BTK (0.44) AKT1FLT3
Trifluoroacetic Acid SCHEMBL30484802 0.70 KDM4E (0.43) HRH4ADORA2AHRH3
SCHEMBL13956850 0.69 FLT3 (0.55) HTR2CFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898917-B1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 — — EP disclosed
EP-1901745-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS AND A FARNESYL TRANSFERASE INHIBITOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-26 — — EP disclosed
EP-1898917-A1 AMINOPYRIMIDINES AS KINASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-03-19 — — EP disclosed
US-20070021435-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 — — US disclosed
WO-2006135719-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 — — WO disclosed
WO-2006135713-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS AND A FARNESYL TRANSFERASE INHIBITOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 — — WO disclosed
US-20060281755-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS BAUMANN CHRISTIAN A 2006-12-14 — — 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 (2 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-20070021435-A1 AMINOPYRIMIDINES AS KINASE MODULATORS FLT3, KIT, TK1 RPS6KB1 220/4885AKT1 224/4885HTR2C 1885/4885
US-20060281755-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS FLT3, CSF3R, CSF1R RPS6KB1 181/4885AKT1 182/4885HTR2C 4774/4885

“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.

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