Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4095832

O=C(O)C(F)(F)F.c1cncc(-c2cnn(-c3ccnc4[nH]ccc34)c2)c1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.51
NUDT1 P36639 1/20 0.49
GRM4 Q14833 1/20 0.47
ABL1 P00519 8/20 0.45
BCR P11274 8/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
AKT1 P31749 1/20 0.39
AURKB Q96GD4 3/20 0.38
AURKA O14965 2/20 0.38
INCENP Q9NQS7 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
JAK1 P23458 2/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
CSF1R P07333 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
Trifluoroacetic Acid SCHEMBL4082067 0.93 PRKCI (0.54) PRKCINUDT1GRM4ABL1BCR
SCHEMBL102315 0.89 PRKCI (0.62) PRKCINUDT1GRM4ABL1BCR
SCHEMBL29540824 0.89 PRKCI (0.62) PRKCINUDT1GRM4ABL1BCR
Trifluoroacetic Acid SCHEMBL4086493 0.87 PRKCI (0.48) PRKCINUDT1GRM4ABL1BCR
Trifluoroacetic Acid SCHEMBL4082707 0.87 PRKCI (0.52) PRKCIGRM4AURKBAURKAINCENP
Trifluoroacetic Acid SCHEMBL4099689 0.86 PRKCI (0.47) PRKCINUDT1GRM4ABL1BCR
Trifluoroacetic Acid SCHEMBL4095594 0.86 PRKCI (0.51) PRKCIGRM4AKT1AURKBAURKA
Trifluoroacetic Acid SCHEMBL4092531 0.84 PRKCI (0.49) PRKCINUDT1GRM4AURKBAURKA
Trifluoroacetic Acid SCHEMBL4088476 0.84 CDK8 (0.47) PRKCIGRM4ABL1BCRPRKACA
Trifluoroacetic Acid SCHEMBL4088293 0.84 GRM5 (0.47) PRKCIGRM4JAK1JAK2

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 PRKCI 304/4885NUDT1 1879/4885GRM4 2958/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885NUDT1 1879/4885GRM4 2958/4885

“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.