Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4088934

N#CCc1ccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.46
GRM4 Q14833 1/20 0.41
JAK2 O60674 10/20 0.39
JAK1 P23458 10/20 0.38
JAK3 P52333 3/20 0.38
TYK2 P29597 2/20 0.38
SLC22A12 Q96S37 1/20 0.36
KLKB1 P03952 1/20 0.36
AKT1 P31749 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL103652 0.91 PRKCI (0.55) PRKCIGRM4JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL4082559 0.90 PRKCI (0.43) PRKCIGRM4JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL4086835 0.88 PRKCI (0.48) PRKCIGRM4JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL4094741 0.88 PRKCI (0.44) PRKCIGRM4JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL4092318 0.86 GRM4 (0.48) PRKCIGRM4JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL4082707 0.86 PRKCI (0.52) PRKCIGRM4JAK2JAK1KLKB1
Trifluoroacetic Acid SCHEMBL4082067 0.85 PRKCI (0.54) PRKCIGRM4JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL4095594 0.85 PRKCI (0.51) PRKCIGRM4JAK2JAK1AKT1
Trifluoroacetic Acid SCHEMBL4082646 0.85 GRM4 (0.59) GRM4JAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4099614 0.82 PRKCI (0.48) PRKCIGRM4AURKAAURKB

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

“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.