Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4092161

N#CCC(=O)Nc1cccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.43
JAK2 O60674 4/20 0.43
JAK1 P23458 5/20 0.43
BTK Q06187 1/20 0.41
PRKCI P41743 1/20 0.41
BRAF P15056 8/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TYK2 P29597 1/20 0.39
CDK8 P49336 2/20 0.39
GRM4 Q14833 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
SCHEMBL100093 0.94 JAK3 (0.48) JAK3JAK2JAK1BTKPRKCI
SCHEMBL29540508 0.94 JAK3 (0.48) JAK3JAK2JAK1BTKPRKCI
Trifluoroacetic Acid SCHEMBL4092015 0.86 JAK3 (0.44) JAK3JAK2JAK1BTKBRAF
Trifluoroacetic Acid SCHEMBL4082559 0.85 PRKCI (0.43) JAK3JAK2JAK1PRKCIBRAF
Trifluoroacetic Acid SCHEMBL4088293 0.84 GRM5 (0.47) JAK2JAK1PRKCIGRM4
Trifluoroacetic Acid SCHEMBL4086493 0.82 PRKCI (0.48) JAK3JAK2JAK1PRKCIBRAF
Trifluoroacetic Acid SCHEMBL4082067 0.82 PRKCI (0.54) JAK3JAK2JAK1PRKCICDK8
Trifluoroacetic Acid SCHEMBL4099689 0.81 PRKCI (0.47) JAK3JAK2JAK1PRKCIBRAF
SCHEMBL4092166 0.81 PRKCI (0.39) JAK3PRKCIBRAFCYP2D6CYP2C9
SCHEMBL4099697 0.80 PRKCI (0.46) JAK3JAK1PRKCIBRAFCYP2D6

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 JAK3 1/4885JAK2 3/4885JAK1 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 JAK3 1/4885JAK2 3/4885JAK1 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.