Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL264269

Cc1cnc(Nc2ccc(OC3CCNCC3)cc2)nc1Nc1cccc2[nH]ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.42
EGFR P00533 5/20 0.41
BTK Q06187 3/20 0.41
KDM1A O60341 1/20 0.39
SYK P43405 6/20 0.39
AXL P30530 5/20 0.39
KCNH2 Q12809 1/20 0.39
ITK Q08881 2/20 0.39
PTK2 Q05397 3/20 0.39
FLT3 P36888 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
DCLK1 O15075 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38

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
SCHEMBL270434 0.92 AXL (0.44) AURKAEGFRBTKKDM1ASYK
SCHEMBL264849 0.85 AXL (0.45) AURKAEGFRBTKSYKAXL
SCHEMBL12109393 0.85 AXL (0.44) AURKAEGFRBTKSYKAXL
SCHEMBL270654 0.82 CCND3 (0.50) EGFRBTKSYKAXLJAK2
Trifluoroacetic Acid SCHEMBL265972 0.82 JAK2 (0.51) AURKAEGFRBTKSYKAXL
SCHEMBL270462 0.81 PDGFRB (0.49) AURKAEGFRBTKAXLJAK2
SCHEMBL270527 0.80 FLT3 (0.47) SYKAXLPTK2FLT3CHEK1
Hydrochloric Acid SCHEMBL264901 0.80 PDGFRB (0.48) AURKAEGFRBTKAXLJAK2
SCHEMBL270122 0.79 AXL (0.46) AURKAEGFRBTKSYKAXL
SCHEMBL264268 0.79 SCN9A (0.51) AURKAEGFRBTKSYKAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 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 (5 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK AURKA 745/4885EGFR 335/4885BTK 7/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 AURKA 75/4885EGFR 181/4885BTK 9/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 AURKA 75/4885EGFR 181/4885BTK 9/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 AURKA 75/4885EGFR 181/4885BTK 9/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 AURKA 75/4885EGFR 181/4885BTK 9/4885

“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.