Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL19457704

N#Cc1cnc(C(=O)NC2CCNCC2)cc1OC(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ SMYD3 Q9H7B4 4/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ KCNJ1 P48048 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ 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
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HPGDS O60760 2/20 0.35
▸ CSF1R P07333 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ AR P10275 1/20 0.34

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
SCHEMBL19473758 0.94 SMYD3 (0.42) SCN9ASMYD3KDM1AKCNJ1KCNH2
Trifluoroacetic Acid SCHEMBL19639842 0.89 MEN1 (0.42) —
Trifluoroacetic Acid SCHEMBL19457877 0.86 KCNJ1 (0.48) CDK4CDK2CDK5SCN9ASMYD3
Trifluoroacetic Acid SCHEMBL19639843 0.86 SCN9A (0.40) CDK4CDK2CDK5SCN9ASMYD3
SCHEMBL19457714 0.80 KCNJ1 (0.49) CDK2SMYD3KDM1AKCNJ1KCNH2
SCHEMBL19473772 0.79 KCNJ1 (0.41) SCN9ASMYD3KDM1AKCNJ1KCNH2
SCHEMBL19473751 0.79 KCNJ1 (0.52) SMYD3KDM1AKCNJ1KCNH2FLT3
SCHEMBL19473757 0.77 USP30 (0.46) KCNJ1KCNH2
Trifluoroacetic Acid SCHEMBL19457706 0.76 L3MBTL1 (0.42) KCNJ1
SCHEMBL15760960 0.76 SMYD3 (0.46) SMYD3KDM1AKCNJ1FLT3AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3231802-B1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2021-05-05 — — EP disclosed
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
CN-105980379-B Pyridinecarboxylic amine derivant, preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2018-09-07 — — CN disclosed
US-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-11-30 — — US disclosed
EP-3231802-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2017-10-18 — — EP 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 CDK4 1165/4885CDK2 1427/4885CDK5 1560/4885
US-20190152959-A1 PROCESSES FOR PREPARING PYRIDINE CARBOXAMIDE DERIVATIVES CPS1, PDXK, SDHA CDK4 70/4885CDK2 179/4885CDK5 206/4885
US-10442794-B2 Processes for preparing pyridine carboxamide derivatives CPS1, PDXK, SDHA CDK4 70/4885CDK2 179/4885CDK5 206/4885
US-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF KCNK2, KCNJ2, KCNK5 CDK4 955/4885CDK2 1434/4885CDK5 1646/4885
US-10364234-B2 Pyridinecarboxamide derivatives, preparation method thereof and pharmaceutical uses thereof KCNK2, KCNJ2, KCNK5 CDK4 955/4885CDK2 1434/4885CDK5 1646/4885
US-10759788-B2 Pharmaceutical uses of pyridine carboxamide derivatives CASK, PDXK, NADK CDK4 1165/4885CDK2 1427/4885CDK5 1560/4885

“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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