Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30349560

COc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCCOCCN.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 8/20 0.36
▸ TTK P33981 4/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ GSK3A P49840 4/20 0.34
▸ SRC P12931 3/20 0.34
▸ MAPK14 Q16539 3/20 0.34
▸ PTK6 Q13882 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MCHR1 Q99705 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ BRAF P15056 1/20 0.32

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
SCHEMBL22124871 0.96 SYK (0.39) SYKTTKMAPKAPK5GSK3ASRC
SCHEMBL22124653 0.92 SYK (0.39) SYKTTKMAPKAPK5PTK6AXL
SCHEMBL22124815 0.90 TTK (0.39) SYKTTKMAPKAPK5PTK6BRAF
SCHEMBL30385354 0.90 SYK (0.36) SYKTTKMAPKAPK5PTK6AXL
Hydrochloric Acid SCHEMBL30193386 0.90 TTK (0.38) SYKTTKMAPKAPK5PTK6BRAF
SCHEMBL22124604 0.90 PTK6 (0.41) SYKMAPKAPK5PTK6MCHR1
SCHEMBL30349525 0.90 SYK (0.36) SYKTTKMAPKAPK5PTK6AXL
SCHEMBL22124567 0.90 SYK (0.36) SYKTTKMAPKAPK5PTK6AXL
SCHEMBL22123578 0.90 SYK (0.36) SYKTTKMAPKAPK5PTK6AXL
SCHEMBL30171566 0.90 PTK6 (0.41) SYKMAPKAPK5PTK6MCHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — 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 (1 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 SYK 939/4885TTK 4573/4885MAPKAPK5 695/4885

“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.

Send feedback