Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4082434

O=C(O)C(F)(F)F.OC(c1cnn(-c2ccnc3[nH]ccc23)c1)C1CCCCC1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.46
PBK Q96KB5 3/20 0.40
AKT2 P31751 2/20 0.39
GSK3B P49841 1/20 0.39
NUDT1 P36639 1/20 0.38
JAK3 P52333 4/20 0.36
JAK1 P23458 5/20 0.35
GRM4 Q14833 1/20 0.35
JAK2 O60674 4/20 0.34
AKT1 P31749 2/20 0.34
AURKA O14965 1/20 0.34
PRKCA P17252 1/20 0.34
KDR P35968 1/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
PLK4 O00444 1/20 0.34
PDPK1 O15530 1/20 0.34
RPS6KA5 O75582 1/20 0.34
PRKD3 O94806 1/20 0.34
PAK4 O96013 1/20 0.34

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
SCHEMBL100483 0.92 PRKCI (0.54) PRKCIPBKAKT2GSK3BNUDT1
SCHEMBL4082436 0.85 PRKCI (0.46) PRKCIPBKAKT2GSK3BNUDT1
SCHEMBL18599525 0.79 PRKCI (0.51) PRKCIPBKAKT2GSK3BNUDT1
Trifluoroacetic Acid SCHEMBL4082067 0.76 PRKCI (0.54) PRKCIPBKNUDT1JAK3JAK1
Trifluoroacetic Acid SCHEMBL4097538 0.75 PRKCI (0.42) PRKCIJAK3JAK1GRM4JAK2
Trifluoroacetic Acid SCHEMBL4082707 0.74 PRKCI (0.52) PRKCIPBKJAK1GRM4JAK2
Trifluoroacetic Acid SCHEMBL4096039 0.73 PRKCI (0.47) PRKCIPBKAKT2NUDT1JAK3
Trifluoroacetic Acid SCHEMBL4095832 0.73 PRKCI (0.51) PRKCINUDT1JAK3JAK1GRM4
Trifluoroacetic Acid SCHEMBL4095594 0.73 PRKCI (0.51) PRKCIPBKAKT2JAK1GRM4
Trifluoroacetic Acid SCHEMBL4097306 0.72 PRKCI (0.50) PRKCIPBKNUDT1JAK3GRM4

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 304/4885PBK 359/4885AKT2 1064/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885PBK 359/4885AKT2 1064/4885

“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.