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
SCHEMBL98795 0.92 PLK1 (0.45) SMN1; SMN2PLK1MEN1KMT2AEGFR
SCHEMBL29540734 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 SCHEMBL4087911 0.83 CYP2D6 (0.43) SMN1; SMN2MAPTMET
Trifluoroacetic Acid SCHEMBL4082497 0.83 GRM5 (0.48) METPRKCICRHR1
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.

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