Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29782734

Cc1[nH]c2c(C#N)ccc(N[C@H]3CCNC3)c2c1C.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.40
▸ BTK Q06187 12/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ BRD4 O60885 2/20 0.37
▸ ATAD2 Q6PL18 2/20 0.37
▸ FLT3 P36888 1/20 0.35

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
SCHEMBL17699878 0.90 BRD4 (0.41) BTKBRD4ATAD2FLT3
SCHEMBL23231145 0.90 BRD4 (0.41) BTKBRD4ATAD2FLT3
SCHEMBL17699876 0.90 BRD4 (0.41) BTKBRD4ATAD2FLT3
SCHEMBL17699972 0.75 BTK (0.58) BTK
SCHEMBL28498049 0.75 BTK (0.58) BTK
SCHEMBL17699570 0.75 BTK (0.63) BTK
SCHEMBL29782781 0.75 BTK (0.63) BTK
SCHEMBL17699859 0.75 BTK (0.63) BTK
SCHEMBL29782460 0.75 BTK (0.63) BTK
SCHEMBL17699634 0.75 BTK (0.63) BTK

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-20230192645-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-06-22 — — US disclosed
US-11623921-B2 Indole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-11 — — US disclosed
CN-110511209-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2022-07-05 — — CN 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-20230192645-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 IRAK4 24/4885BTK 1/4885HRH4 44/4885
US-11623921-B2 Indole carboxamide compounds BTK, JAK2, BRD4 IRAK4 24/4885BTK 1/4885HRH4 44/4885

“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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