Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3537358

Nc1ccc(Oc2ccc(Nc3nnc(-c4ccc(Cl)c(C(F)(F)F)c4)[nH]3)cc2)nn1.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
CDK8 P49336 3/20 0.43
KDR P35968 8/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CHEK2 O96017 1/20 0.39
BRAF P15056 7/20 0.38
RAF1 P04049 4/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PDGFRB P09619 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 SCHEMBL3533384 0.95 CDK8 (0.45) CDK8KDRMEN1ALDH1A1KMT2A
SCHEMBL12015920 0.94 MEN1 (0.42) CDK8KDRMEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL3530517 0.90 CDK8 (0.45) CDK8KDRMEN1ALDH1A1KMT2A
SCHEMBL12015913 0.89 MEN1 (0.47) CDK8KDRMEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL3537042 0.85 KDR (0.53) CDK8KDRMEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL3534433 0.84 KCNH2 (0.38) CHEK2
Trifluoroacetic Acid SCHEMBL3533960 0.84 MEN1 (0.44) CDK8KDRMEN1ALDH1A1KMT2A
SCHEMBL12015916 0.83 MEN1 (0.45) CDK8KDRMEN1ALDH1A1KMT2A
SCHEMBL12015906 0.82 KDR (0.44) CDK8KDRMEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL3529822 0.82 RAF1 (0.47) CDK8KDRMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
EP-2532653-A1 Benzo[1,2,4]triazines as protein kinase modulators Targegen, Inc. (US) 2012-12-12 EP disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-20060079526-A1 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2006-04-13 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 (3 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-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS CDK8 110/4885KDR 4380/4885MEN1 1802/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS CDK8 110/4885KDR 4380/4885MEN1 1802/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS CDK8 110/4885KDR 4380/4885MEN1 1802/4885

“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.