Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4082643

CCOC(=O)c1ccc(-n2cc(-c3ccnc4[nH]ccc34)cn2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.57
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
AURKA O14965 3/20 0.46
AURKB Q96GD4 3/20 0.46
INCENP Q9NQS7 1/20 0.46
TPX2 Q9ULW0 1/20 0.46
NUDT1 P36639 1/20 0.46
JAK2 O60674 5/20 0.45
JAK1 P23458 4/20 0.44
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
NEK1 Q96PY6 1/20 0.41
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL100615 0.94 GRM4 (0.62) GRM4CCNCCDK8AURKAAURKB
Trifluoroacetic Acid SCHEMBL4092717 0.84 GRM4 (0.81) GRM4CDK8AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4088808 0.83 GRM4 (0.62) GRM4CDK8AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4096450 0.81 GRM4 (0.62) GRM4AURKAAURKBINCENPTPX2
SCHEMBL2434906 0.81 GRM4 (0.74) GRM4CDK8AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4082646 0.81 GRM4 (0.59) GRM4AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL100051 0.80 AURKA (0.49) GRM4AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4087599 0.79 GRM4 (0.59) GRM4CDK8AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4098783 0.78 GRM4 (0.61) GRM4CDK8AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL101253 0.78 JAK2 (0.50) GRM4AURKAAURKBINCENPTPX2

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 GRM4 2958/4885CCNC 800/4885CDK8 200/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 GRM4 2958/4885CCNC 800/4885CDK8 200/4885

“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.