Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4087911

COc1cccc(-c2ccn(-c3ccnc4[nH]ccc34)n2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
BRAF P15056 1/20 0.43
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.40
CIT O14578 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
DYRK1A Q13627 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MET P08581 2/20 0.38
RORC P51449 1/20 0.38
MAP4K2 Q12851 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TNIK Q9UKE5 1/20 0.38
LMNA P02545 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL100082 0.91 ROCK2 (0.44) CYP2D6CYP2C9BRAFROCK2ROCK1
SCHEMBL29541714 0.91 ROCK2 (0.44) CYP2D6CYP2C9BRAFROCK2ROCK1
Trifluoroacetic Acid SCHEMBL4092614 0.90 MET (0.43) CITMAPTSMN1; SMN2KDM4EMET
Trifluoroacetic Acid SCHEMBL4097114 0.87 CTSA (0.36) CYP2D6CYP2C9BRAFMETMAP4K2
Trifluoroacetic Acid SCHEMBL4088295 0.86 PRKCI (0.41) CYP2D6CYP2C9BRAFROCK1DYRK1A
Trifluoroacetic Acid SCHEMBL4092155 0.86 CAPN1 (0.46) CYP2D6CYP2C9BRAFROCK2ROCK1
Trifluoroacetic Acid SCHEMBL4082706 0.84 CYP2D6 (0.44) CYP2D6CYP2C9BRAFROCK2ROCK1
Trifluoroacetic Acid SCHEMBL4082497 0.84 GRM5 (0.48) METMAPK10
Trifluoroacetic Acid SCHEMBL4086536 0.83 SMN1; SMN2 (0.39) MAPTSMN1; SMN2MET
Trifluoroacetic Acid SCHEMBL4092178 0.82 MAPK14 (0.41) MET

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 CYP2D6 1930/4885CYP2C9 2421/4885BRAF 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 CYP2D6 1930/4885CYP2C9 2421/4885BRAF 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.