Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3529522

Nc1cc(Oc2cccc(-c3nnc(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH]3)c2)nc(N)n1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.42
CDK8 P49336 4/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
BRAF P15056 4/20 0.40
RAF1 P04049 3/20 0.40
CCNC P24863 1/20 0.39
RET P07949 1/20 0.37
DHODH Q02127 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 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
SCHEMBL12015914 0.94 MEN1 (0.43) KDRCDK8MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL3530517 0.89 CDK8 (0.45) KDRCDK8MEN1ALDH1A1KMT2A
SCHEMBL626746 0.85 KDR (0.47) KDRCDK8MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL3529466 0.84 KDR (0.54) KDRCDK8MEN1ALDH1A1KMT2A
SCHEMBL12015906 0.84 KDR (0.44) KDRCDK8MEN1ALDH1A1KMT2A
SCHEMBL3532109 0.83 KDR (0.46) KDRCDK8MEN1ALDH1A1KMT2A
SCHEMBL12015916 0.83 MEN1 (0.45) KDRCDK8MEN1ALDH1A1KMT2A
SCHEMBL13547691 0.82 EGFR (0.33) KDRCDK8
SCHEMBL12336270 0.82 PDGFRB (0.47) KDRCDK8MEN1ALDH1A1KMT2A
SCHEMBL12074987 0.81 EGFR (0.32) KDR

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 8 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US 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 (4 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDR 4380/4885CDK8 110/4885MEN1 1802/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDR 4380/4885CDK8 110/4885MEN1 1802/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS KDR 4380/4885CDK8 110/4885MEN1 1802/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDR 4380/4885CDK8 110/4885MEN1 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.