Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4086536

O=C(O)C(F)(F)F.O=[N+]([O-])c1cccc(-c2ccn(-c3ccnc4[nH]ccc34)n2)c1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
PLK1 P53350 1/20 0.39
PIM1 P11309 1/20 0.38
CDK4 P11802 1/20 0.38
CCND3 P30281 1/20 0.38
MTOR P42345 1/20 0.38
GSK3B P49841 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MET P08581 1/20 0.38
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37

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
SCHEMBL29540734 0.92 PLK1 (0.45) SMN1; SMN2PLK1MEN1KMT2AEGFR
SCHEMBL98795 0.92 PLK1 (0.45) SMN1; SMN2PLK1MEN1KMT2AEGFR
Trifluoroacetic Acid SCHEMBL4092155 0.85 CAPN1 (0.46) KMT2AALDH1A1METPRKCI
Trifluoroacetic Acid SCHEMBL4088295 0.85 PRKCI (0.41) PLK1GABRA1GABRB2METPRKCI
Trifluoroacetic Acid SCHEMBL4086259 0.85 PRKCI (0.44) SMN1; SMN2PLK1PIM1CDK4CCND3
Trifluoroacetic Acid SCHEMBL4082497 0.83 GRM5 (0.48) METPRKCICRHR1
Trifluoroacetic Acid SCHEMBL4087911 0.83 CYP2D6 (0.43) SMN1; SMN2MAPTMET
Trifluoroacetic Acid SCHEMBL4092178 0.81 MAPK14 (0.41) EGFRMETPRKCI
Trifluoroacetic Acid SCHEMBL4093205 0.80 AKT1 (0.43) GSK3BKMT2AMAPTMETPRKCI
Trifluoroacetic Acid SCHEMBL4097114 0.79 CTSA (0.36) METPRKCI

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 SMN1; SMN2 3741/4885PLK1 429/4885PIM1 355/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 SMN1; SMN2 3741/4885PLK1 429/4885PIM1 355/4885

“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.