Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL19639843

N#Cc1cnc(C(=O)NC2CCNCC2)cc1OCCF.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.40
▸ KCNJ1 P48048 2/20 0.39
▸ CDK4 P11802 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ SMYD3 Q9H7B4 4/20 0.38
▸ FGFR4 P22455 2/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ PRKAA2 P54646 1/20 0.36
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ FLT3 P36888 2/20 0.35
▸ AXL P30530 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ ACKR3 P25106 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
SCHEMBL19473772 0.94 KCNJ1 (0.41) SCN9AKCNJ1KDM1ASMYD3FGFR4
Trifluoroacetic Acid SCHEMBL19457877 0.90 KCNJ1 (0.48) SCN9AKCNJ1CDK4CDK2CDK5
Trifluoroacetic Acid SCHEMBL19457706 0.89 L3MBTL1 (0.42) KCNJ1
Trifluoroacetic Acid SCHEMBL19457704 0.86 CDK4 (0.39) SCN9AKCNJ1CDK4CDK2CDK5
SCHEMBL19473751 0.82 KCNJ1 (0.52) KCNJ1KDM1ASMYD3FGFR4KCNH2
SCHEMBL19639844 0.82 KCNJ1 (0.45) KCNJ1KCNH2PRKAA2
SCHEMBL19457714 0.80 KCNJ1 (0.49) KCNJ1CDK2KDM1ASMYD3KCNH2
SCHEMBL19473758 0.79 SMYD3 (0.42) SCN9AKCNJ1KDM1ASMYD3FGFR4
SCHEMBL19457708 0.77 USP30 (0.45) SCN9AKCNJ1KCNH2
Trifluoroacetic Acid SCHEMBL19639842 0.76 MEN1 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759788-B2 Pharmaceutical uses of pyridine carboxamide derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-09-01 — — US disclosed
US-10442794-B2 Processes for preparing pyridine carboxamide derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-10-15 — — US disclosed
US-10364234-B2 Pyridinecarboxamide derivatives, preparation method thereof and pharmaceutical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-07-30 — — US disclosed
US-20190152958-A1 PHARMACEUTICAL USES OF PYRIDINE CARBOXAMIDE DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-05-23 — — US disclosed
US-20190152959-A1 PROCESSES FOR PREPARING PYRIDINE CARBOXAMIDE DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-05-23 — — US disclosed
US-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-11-30 — — 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 (6 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-20190152958-A1 PHARMACEUTICAL USES OF PYRIDINE CARBOXAMIDE DERIVATIVES CASK, PDXK, NADK SCN9A 773/4885KCNJ1 9/4885CDK4 1165/4885
US-20190152959-A1 PROCESSES FOR PREPARING PYRIDINE CARBOXAMIDE DERIVATIVES CPS1, PDXK, SDHA SCN9A 2751/4885KCNJ1 2381/4885CDK4 70/4885
US-10442794-B2 Processes for preparing pyridine carboxamide derivatives CPS1, PDXK, SDHA SCN9A 2751/4885KCNJ1 2381/4885CDK4 70/4885
US-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF KCNK2, KCNJ2, KCNK5 SCN9A 521/4885KCNJ1 7/4885CDK4 955/4885
US-10364234-B2 Pyridinecarboxamide derivatives, preparation method thereof and pharmaceutical uses thereof KCNK2, KCNJ2, KCNK5 SCN9A 521/4885KCNJ1 7/4885CDK4 955/4885
US-10759788-B2 Pharmaceutical uses of pyridine carboxamide derivatives CASK, PDXK, NADK SCN9A 773/4885KCNJ1 9/4885CDK4 1165/4885

“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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