Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5089342

N#Cc1ccc(-c2cc(N3CCOCC3)nc(NCCN)n2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.43
PIK3CB P42338 2/20 0.42
PIK3CG P48736 1/20 0.42
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
JAK2 O60674 1/20 0.42
RAF1 P04049 7/20 0.41
BRAF P15056 7/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41

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
SCHEMBL27541735 0.84 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGHRH4HRH3
SCHEMBL27538113 0.79 RAF1 (0.47) PIK3CAPIK3CBPIK3CGRAF1BRAF
SCHEMBL5091985 0.75 PIK3CA (0.40) PIK3CAPIK3CBPIK3CGHRH4HRH3
SCHEMBL5089683 0.73 ALDH1A1 (0.45) PIK3CAPIK3CBPIK3CGJAK2
SCHEMBL27538112 0.73 HRH4 (0.41) PIK3CBHRH4HRH3JAK2RAF1
SCHEMBL5091993 0.71 RAF1 (0.40) HRH4HRH3JAK2RAF1BRAF
SCHEMBL16013236 0.67 NPC1 (0.50) PIK3CAPIK3CBPIK3CGHRH4HRH3
SCHEMBL12118471 0.66 PIK3CA (0.46) PIK3CAJAK2RAF1BRAF
SCHEMBL28042881 0.65 ABL1 (0.49) PIK3CA
SCHEMBL1089586 0.65 CXCR4 (0.74) PIK3CAPIK3CBPIK3CGHRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PIK3CA 21/4885PIK3CB 73/4885PIK3CG 157/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PIK3CA 19/4885PIK3CB 70/4885PIK3CG 143/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PIK3CA 19/4885PIK3CB 70/4885PIK3CG 143/4885

“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.