Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4088813

O=C(O)C(F)(F)F.c1cncc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)c1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.56
CDK12 Q9NYV4 2/20 0.56
NUDT1 P36639 1/20 0.51
GRM4 Q14833 1/20 0.49
JAK1 P23458 4/20 0.49
AURKB Q96GD4 3/20 0.47
AURKA O14965 2/20 0.47
INCENP Q9NQS7 1/20 0.47
TPX2 Q9ULW0 1/20 0.47
CIT O14578 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
JAK2 O60674 2/20 0.44
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43

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 SCHEMBL4082781 0.93 JAK1 (0.55) CCNKCDK12NUDT1GRM4JAK1
SCHEMBL99693 0.90 CCNK (0.67) CCNKCDK12NUDT1GRM4JAK1
SCHEMBL29541183 0.90 CCNK (0.67) CCNKCDK12NUDT1GRM4JAK1
Trifluoroacetic Acid SCHEMBL4092253 0.87 ALK (0.55) CCNKCDK12GRM4JAK1AURKB
Trifluoroacetic Acid SCHEMBL4088103 0.86 JAK1 (0.47) CCNKCDK12NUDT1GRM4JAK1
Trifluoroacetic Acid SCHEMBL4082598 0.85 JAK1 (0.50) CCNKCDK12NUDT1GRM4JAK1
Trifluoroacetic Acid SCHEMBL4089057 0.85 ALK (0.53) GRM4JAK1AURKBAURKAINCENP
Trifluoroacetic Acid SCHEMBL4086708 0.85 JAK1 (0.46) CCNKCDK12GRM4JAK1AURKB
Trifluoroacetic Acid SCHEMBL4095963 0.84 JAK1 (0.46) CCNKCDK12GRM4JAK1AURKB
Trifluoroacetic Acid SCHEMBL4088053 0.84 ALK (0.55) CCNKCDK12GRM4JAK1AURKB

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 CCNK 374/4885CDK12 367/4885NUDT1 1879/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CCNK 374/4885CDK12 367/4885NUDT1 1879/4885

“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.