Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9937563

CN1CCN(c2ccc(Oc3ncc4ccc5c(C(N)=O)nn(C)c5c4n3)c(Br)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 0.43
PLK3 Q9H4B4 10/20 0.43
PLK2 Q9NYY3 7/20 0.43
FLT3 P36888 5/20 0.43
NEK6 Q9HC98 3/20 0.43
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CCNA1 P78396 4/20 0.41
CSNK2A2 P19784 2/20 0.41
MELK Q14680 2/20 0.41
RPS6KA4 O75676 1/20 0.41
CDK1 P06493 1/20 0.41
KIT P10721 1/20 0.41
IMPDH2 P12268 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
FLT4 P35916 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
CDK5 Q00535 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
SCHEMBL9936815 0.95 PLK1 (0.43) PLK1PLK3PLK2FLT3NEK6
Trifluoroacetic Acid SCHEMBL9938040 0.92 PLK1 (0.44) PLK1PLK3PLK2FLT3NEK6
Trifluoroacetic Acid SCHEMBL9937628 0.90 PLK1 (0.45) PLK1PLK3PLK2FLT3NEK6
Trifluoroacetic Acid SCHEMBL9937880 0.89 PLK1 (0.44) PLK1PLK3PLK2FLT3NEK6
SCHEMBL9937010 0.87 PLK1 (0.43) PLK1PLK3PLK2FLT3NEK6
SCHEMBL10219359 0.86 PLK1 (0.44) PLK1PLK3PLK2FLT3NEK6
SCHEMBL9937508 0.85 PLK1 (0.48) PLK1PLK3PLK2FLT3NEK6
SCHEMBL9937641 0.84 PLK1 (0.44) PLK1PLK3PLK2FLT3NEK6
Trifluoroacetic Acid SCHEMBL9941252 0.83 PLK1 (0.45) PLK1PLK3PLK2FLT3NEK6
SCHEMBL10220029 0.82 CDK2 (0.42) PLK1PLK3PLK2FLT3NEK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614065-B1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-04-19 EP disclosed
US-8541576-B2 Substituted pyrazolo-quinazoline derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-24 US disclosed
EP-2614065-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-07-17 EP disclosed
US-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-07-26 US disclosed
WO-2012080990-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 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 (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-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS PIM1, PIM2, PIM3 PLK1 228/4885PLK3 184/4885PLK2 47/4885

“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.