Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4082706

COc1cccc(-c2cn(-c3ccnc4[nH]ccc34)cn2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
BRAF P15056 1/20 0.44
ROCK1 Q13464 2/20 0.41
CIT O14578 1/20 0.41
ROCK2 O75116 4/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCE Q02156 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.38
TNIK Q9UKE5 1/20 0.38
PRKCI P41743 1/20 0.38
PLK1 P53350 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 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
SCHEMBL101287 0.90 CYP2D6 (0.44) CYP2D6CYP2C9BRAFROCK1ROCK2
SCHEMBL29540736 0.90 CYP2D6 (0.44) CYP2D6CYP2C9BRAFROCK1ROCK2
Trifluoroacetic Acid SCHEMBL4087911 0.84 CYP2D6 (0.43) CYP2D6CYP2C9BRAFROCK1CIT
Trifluoroacetic Acid SCHEMBL4097362 0.83 SGK1 (0.40) CYP2D6CYP2C9BRAFROCK1HSD17B10
SCHEMBL100468 0.78 JAK2 (0.52) ROCK1PRKCIRAB9A
SCHEMBL30663353 0.78 JAK2 (0.52) ROCK1PRKCIRAB9A
SCHEMBL4082713 0.76 HSD17B10 (0.37) CYP2D6CCNA2CDK2CCNA1MAPT
Trifluoroacetic Acid SCHEMBL4092614 0.74 MET (0.43) CITMAPTSMN1; SMN2KDM4EMEN1
Trifluoroacetic Acid SCHEMBL4099614 0.74 PRKCI (0.48) CITPRKCAPRKCEPRKCI
SCHEMBL29541714 0.73 ROCK2 (0.44) CYP2D6CYP2C9BRAFROCK1CIT

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.