Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL525814

CN1CCN(c2ccc(Oc3ncc4ccc5c(C(N)=O)noc5c4n3)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 3/20 0.38
CHEK1 O14757 1/20 0.35
ABL1 P00519 1/20 0.35
TNIK Q9UKE5 2/20 0.34
EGFR P00533 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
FLT3 P36888 2/20 0.34
CDK4 P11802 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KIT P10721 1/20 0.34
AURKA O14965 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL10092919 0.95 CHEK1 (0.38) CHEK1ABL1TNIKEGFRCCNC
SCHEMBL10220029 0.78 CDK2 (0.42) CHEK1ABL1EGFRCCNCCDK8
Trifluoroacetic Acid SCHEMBL14990435 0.78 CCNA2 (0.45) PIM1FLT3CDK4KITAURKA
SCHEMBL9940549 0.77 CCNC (0.38) CHEK1ABL1TNIKEGFRCCNC
Trifluoroacetic Acid SCHEMBL11021468 0.76 PLK1 (0.41) C1SPIM1PIM3FLT3CDK4
SCHEMBL9940573 0.75 PLK1 (0.41) CHEK1EGFRCCNCCDK8LRRK2
Trifluoroacetic Acid SCHEMBL9938040 0.73 PLK1 (0.44) FLT3KITCCNA2CDK2PLK1
Trifluoroacetic Acid SCHEMBL9937563 0.72 PLK1 (0.43) FLT3KITCCNA2CDK2PLK1
Trifluoroacetic Acid SCHEMBL9937628 0.72 PLK1 (0.45) PIM1FLT3KITCCNA2CDK2
SCHEMBL526265 0.72 CDK2 (0.49) PIM1FLT3CDK4KITAURKA

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
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
EP-2598508-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY Nerviano Medical Sciences S.r.l. (IT) 2013-06-05 EP disclosed
WO-2012013557-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-02 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-20130143896-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY CSNK1A1, RPS6KA1, CSNK2A1 C1S 4873/4885CHEK1 501/4885ABL1 114/4885

“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.