SCHEMBL19473772

SCHEMBL19473772

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 2/20 0.41
▸ SMYD3 Q9H7B4 7/20 0.41
▸ FGFR4 P22455 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ HPGDS O60760 1/20 0.37
▸ PRKAA2 P54646 2/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL19639843 0.94 SCN9A (0.40) KCNJ1SMYD3FGFR4KCNH2SCN9A
SCHEMBL19473751 0.87 KCNJ1 (0.52) KCNJ1SMYD3FGFR4KCNH2KDM1A
SCHEMBL19639844 0.85 KCNJ1 (0.45) KCNJ1KCNH2PRKAA2
SCHEMBL19457714 0.84 KCNJ1 (0.49) KCNJ1SMYD3KCNH2KDM1AFLT3
SCHEMBL19473758 0.84 SMYD3 (0.42) KCNJ1SMYD3FGFR4KCNH2SCN9A
Trifluoroacetic Acid SCHEMBL19457706 0.84 L3MBTL1 (0.42) KCNJ1
Trifluoroacetic Acid SCHEMBL19457877 0.83 KCNJ1 (0.48) KCNJ1SMYD3FGFR4KCNH2SCN9A
SCHEMBL19457708 0.80 USP30 (0.45) KCNJ1KCNH2SCN9A
SCHEMBL15760960 0.80 SMYD3 (0.46) KCNJ1SMYD3KDM1AACKR3AXL
Trifluoroacetic Acid SCHEMBL19457704 0.79 CDK4 (0.39) KCNJ1SMYD3KCNH2SCN9AKDM1A

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
US-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-11-30 — — 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
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 KCNJ1 9/4885SMYD3 4033/4885FGFR4 3083/4885
US-20190152959-A1 PROCESSES FOR PREPARING PYRIDINE CARBOXAMIDE DERIVATIVES CPS1, PDXK, SDHA KCNJ1 2381/4885SMYD3 3617/4885FGFR4 1566/4885
US-10442794-B2 Processes for preparing pyridine carboxamide derivatives CPS1, PDXK, SDHA KCNJ1 2381/4885SMYD3 3617/4885FGFR4 1566/4885
US-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF KCNK2, KCNJ2, KCNK5 KCNJ1 7/4885SMYD3 3771/4885FGFR4 2366/4885
US-10364234-B2 Pyridinecarboxamide derivatives, preparation method thereof and pharmaceutical uses thereof KCNK2, KCNJ2, KCNK5 KCNJ1 7/4885SMYD3 3771/4885FGFR4 2366/4885
US-10759788-B2 Pharmaceutical uses of pyridine carboxamide derivatives CASK, PDXK, NADK KCNJ1 9/4885SMYD3 4033/4885FGFR4 3083/4885

“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