Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4256994

O=C(O)C(F)(F)F.O=C1NCCn2nc3c(c21)CCc1cnc(C=Cc2ccccc2)cc1-3

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.36
AURKA O14965 2/20 0.36
CDK2 P24941 2/20 0.36
PLK1 P53350 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
MAPK13 O15264 1/20 0.36
PDPK1 O15530 1/20 0.36
DAPK3 O43293 1/20 0.36
DYRK3 O43781 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
CHEK2 O96017 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
PRKCG P05129 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
Trifluoroacetic Acid SCHEMBL4256992 1.00 MAPKAPK2 (0.36) MAPKAPK2AURKACDK2PLK1CDC7
Trifluoroacetic Acid SCHEMBL4255911 0.94 MAPKAPK2 (0.30) MAPKAPK2AURKACDK2PLK1CDC7
Trifluoroacetic Acid SCHEMBL4255917 0.94 MAPKAPK2 (0.30) MAPKAPK2AURKACDK2PLK1CDC7
SCHEMBL6795194 0.93 MAPKAPK2 (0.41) MAPKAPK2AURKACDK2PLK1CDC7
SCHEMBL6795191 0.93 MAPKAPK2 (0.41) MAPKAPK2AURKACDK2PLK1CDC7
Trifluoroacetic Acid SCHEMBL6792244 0.93 MAPKAPK2 (0.31) MAPKAPK2AURKACDK2PLK1CDC7
Trifluoroacetic Acid SCHEMBL6792239 0.93 MAPKAPK2 (0.31) MAPKAPK2AURKACDK2PLK1CDC7
Trifluoroacetic Acid SCHEMBL6792909 0.91 MAPKAPK2 (0.37) MAPKAPK2AURKACDK2PLK1CSNK1A1
Trifluoroacetic Acid SCHEMBL6792906 0.91 MAPKAPK2 (0.37) MAPKAPK2AURKACDK2PLK1CSNK1A1
Trifluoroacetic Acid SCHEMBL6794251 0.90 POLB (0.35) MAPKAPK2AURKACDK2PLK1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-9023787-B2 MAPKAP kinase-2 as a specific target for blocking proliferation of P53-defective MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-05 US disclosed
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-02-06 US disclosed
US-8440610-B2 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-14 US disclosed
US-20120252737-A1 Methods for Diagnosing and Treating Cancer MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-04 US disclosed
US-20090181468-A1 Methods and compositions for treating cellular proliferative diseases YAFFE MICHAEL B 2009-07-16 US disclosed
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-08 US disclosed
US-20060115453-A1 Methods and compositions for treating cellular proliferative diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-01 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 (4 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-20060115453-A1 Methods and compositions for treating cellular proliferative diseases MKI67, TP53, CCNC MAPKAPK2 1486/4885AURKA 1218/4885CDK2 29/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 MAPKAPK2 1/4885AURKA 562/4885CDK2 77/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MAPKAPK2 2/4885AURKA 341/4885CDK2 29/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 MAPKAPK2 1/4885AURKA 562/4885CDK2 77/4885

“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.