Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4082081

O=C(O)C(F)(F)F.Oc1ccc(F)cc1-c1ccn(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 2/20 0.37
▸ KDM1A O60341 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ MET P08581 10/20 0.35
▸ KIT P10721 3/20 0.35
▸ KDR P35968 3/20 0.35
▸ FLT3 P36888 3/20 0.35
▸ EGFR P00533 2/20 0.35
▸ PDGFRB P09619 2/20 0.35
▸ CSNK1D P48730 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ MAPK11 Q15759 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ PBK Q96KB5 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33

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
SCHEMBL99634 0.92 PRKCI (0.41) PRKCIKDM1AHDAC1HDAC6HDAC5
Trifluoroacetic Acid SCHEMBL4092178 0.85 MAPK14 (0.41) PRKCIMETKITKDRFLT3
SCHEMBL4082086 0.85 MET (0.40) PRKCIMETKITKDRFLT3
Trifluoroacetic Acid SCHEMBL4093205 0.79 AKT1 (0.43) PRKCIMETKITKDRFLT3
Trifluoroacetic Acid SCHEMBL4092155 0.78 CAPN1 (0.46) PRKCIMETKDRMAPK14
Trifluoroacetic Acid SCHEMBL4088295 0.78 PRKCI (0.41) PRKCIMETKDRPBKAURKA
Trifluoroacetic Acid SCHEMBL4092614 0.76 MET (0.43) KDM1AHDAC1HDAC6HDAC5MET
Trifluoroacetic Acid SCHEMBL4081895 0.76 JAK3 (0.37) PRKCIMETKITKDRFLT3
Trifluoroacetic Acid SCHEMBL4087911 0.76 CYP2D6 (0.43) MET
Trifluoroacetic Acid SCHEMBL4082497 0.76 GRM5 (0.48) PRKCIMET

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 304/4885KDM1A 549/4885HDAC1 1703/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885KDM1A 549/4885HDAC1 1703/4885

“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.