Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14990435

CN1CCN(c2ccc(Oc3ncc4c(n3)-c3onc(C(N)=O)c3CC4)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 9/20 0.45
CDK2 P24941 9/20 0.45
AURKA O14965 3/20 0.45
CDK4 P11802 3/20 0.45
CCND3 P30281 3/20 0.45
CDK6 Q00534 3/20 0.45
CCNA1 P78396 6/20 0.44
PLK1 P53350 13/20 0.44
PLK3 Q9H4B4 6/20 0.44
PLK2 Q9NYY3 5/20 0.44
FLT3 P36888 4/20 0.44
NEK6 Q9HC98 2/20 0.44
CSNK2A2 P19784 2/20 0.41
MELK Q14680 2/20 0.41
ALK Q9UM73 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
RPS6KA4 O75676 1/20 0.41
CDK1 P06493 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
SCHEMBL526265 0.95 CDK2 (0.49) CCNA2CDK2AURKACDK4CCND3
SCHEMBL31060273 0.84 CDK2 (0.49) CCNA2CDK2AURKACDK4CCND3
SCHEMBL526058 0.84 CDK2 (0.49) CCNA2CDK2AURKACDK4CCND3
SCHEMBL9940553 0.80 CDK2 (0.69) CCNA2CDK2AURKACDK4CCND3
SCHEMBL14990502 0.78 CDK2 (0.72) CCNA2CDK2AURKACDK4CCND3
Trifluoroacetic Acid SCHEMBL525814 0.78 C1S (0.38) CCNA2CDK2AURKACDK4CCND3
SCHEMBL10092912 0.76 PLK1 (0.68) CCNA2CDK2CCNA1PLK1PLK3
Trifluoroacetic Acid SCHEMBL11021294 0.74 PLK1 (0.64) CCNA2CDK2AURKACDK4CCND3
Trifluoroacetic Acid SCHEMBL11023216 0.73 PLK1 (0.66) CCNA2CDK2AURKACDK4CCND3
Trifluoroacetic Acid SCHEMBL11023473 0.73 PLK1 (0.63) CCNA2CDK2AURKACDK4CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9333205-B2 Isoxazolo-quinazolines as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-10 US disclosed
EP-2598508-B1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES SRL (IT) 2015-04-22 EP disclosed
US-20130143896-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-06 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 (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-20130143896-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY CSNK1A1, RPS6KA1, CSNK2A1 CCNA2 3027/4885CDK2 406/4885AURKA 1595/4885

“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.