Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4097114

N#CCOc1cccc(-c2ccn(-c3ccnc4[nH]ccc34)n2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.36
PRKCI P41743 1/20 0.35
BRAF P15056 5/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
MET P08581 7/20 0.34
KDR P35968 2/20 0.34
CAPN1 P07384 2/20 0.34
MAPK14 Q16539 2/20 0.34
TNNI3K Q59H18 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
MAP3K7 O43318 1/20 0.33
MAP4K2 Q12851 1/20 0.33
FFAR1 O14842 1/20 0.33
SLC5A1 P13866 1/20 0.33

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
SCHEMBL102097 0.91 PRKCI (0.38) CTSAPRKCIBRAFCYP2D6CYP2C9
SCHEMBL29540742 0.91 PRKCI (0.38) CTSAPRKCIBRAFCYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL4087911 0.87 CYP2D6 (0.43) BRAFCYP2D6CYP2C9METMAP4K2
Trifluoroacetic Acid SCHEMBL4082497 0.85 GRM5 (0.48) PRKCIMET
Trifluoroacetic Acid SCHEMBL4092015 0.84 JAK3 (0.44) BRAFCYP2D6CYP2C9AURKAAURKB
Trifluoroacetic Acid SCHEMBL4092155 0.82 CAPN1 (0.46) PRKCIBRAFCYP2D6CYP2C9MET
Trifluoroacetic Acid SCHEMBL4088295 0.82 PRKCI (0.41) PRKCIBRAFCYP2D6CYP2C9MET
Trifluoroacetic Acid SCHEMBL4081895 0.81 JAK3 (0.37) PRKCIMETKDRKITFLT3
Trifluoroacetic Acid SCHEMBL4086536 0.79 SMN1; SMN2 (0.39) PRKCIMET
Trifluoroacetic Acid SCHEMBL4092614 0.79 MET (0.43) METCAPN1

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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 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 (2 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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CTSA 4465/4885PRKCI 304/4885BRAF 51/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CTSA 4465/4885PRKCI 304/4885BRAF 51/4885

“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.