Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4082744

C1=C(Cc2cnn(-c3ccnc4[nH]ccc34)c2)CCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
AKT1 P31749 2/20 0.37
JAK1 P23458 3/20 0.36
NUDT1 P36639 4/20 0.35
KLKB1 P03952 1/20 0.35
PBK Q96KB5 2/20 0.35
AKT2 P31751 4/20 0.35
GRM4 Q14833 1/20 0.34
JAK2 O60674 2/20 0.32
JAK3 P52333 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
TPX2 Q9ULW0 1/20 0.32
PREP P48147 1/20 0.32

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
SCHEMBL102287 0.91 PRKCI (0.53) PRKCIAKT1JAK1NUDT1PBK
SCHEMBL29541478 0.91 PRKCI (0.53) PRKCIAKT1JAK1NUDT1PBK
Trifluoroacetic Acid SCHEMBL4096039 0.83 PRKCI (0.47) PRKCIAKT1JAK1NUDT1KLKB1
SCHEMBL4082749 0.77 KCNJ1 (0.32)
Trifluoroacetic Acid SCHEMBL4082067 0.74 PRKCI (0.54) PRKCIJAK1NUDT1PBKGRM4
Trifluoroacetic Acid SCHEMBL4088934 0.73 PRKCI (0.46) PRKCIAKT1JAK1KLKB1GRM4
SCHEMBL3453092 0.73 PRKCI (0.67) PRKCIJAK1NUDT1PBKAKT2
Trifluoroacetic Acid SCHEMBL4082707 0.73 PRKCI (0.52) PRKCIJAK1KLKB1PBKGRM4
Trifluoroacetic Acid SCHEMBL4099482 0.73 PRKCI (0.41) PRKCIAKT1JAK1NUDT1KLKB1
Trifluoroacetic Acid SCHEMBL4095594 0.72 PRKCI (0.51) PRKCIAKT1JAK1PBKAKT2

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 304/4885AKT1 1142/4885JAK1 2/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885AKT1 1142/4885JAK1 2/4885

“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.