SCHEMBL19639844

SCHEMBL19639844

N#Cc1cnc(C(=O)NC2CCN(C(=O)O)CC2)cc1OCCF

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 2/20 0.45
▸ KCNH2 Q12809 1/20 0.43
▸ PRKAA2 P54646 16/20 0.40
▸ PRKAB2 O43741 11/20 0.40
▸ PRKAG1 P54619 11/20 0.40
▸ PRKAA1 Q13131 11/20 0.40
▸ PRKAG3 Q9UGI9 11/20 0.40
▸ PRKAG2 Q9UGJ0 11/20 0.40
▸ PRKAB1 Q9Y478 11/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.38

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
SCHEMBL19457708 0.87 USP30 (0.45) KCNJ1KCNH2USP30
SCHEMBL20872894 0.85 KCNJ1 (0.53) KCNJ1KCNH2PRKAA2PRKAB2PRKAG1
SCHEMBL19473772 0.85 KCNJ1 (0.41) KCNJ1KCNH2PRKAA2
Trifluoroacetic Acid SCHEMBL19639843 0.82 SCN9A (0.40) KCNJ1KCNH2PRKAA2
Trifluoroacetic Acid SCHEMBL19457706 0.81 L3MBTL1 (0.42) KCNJ1USP30
SCHEMBL19457848 0.76 KCNJ1 (0.53) KCNJ1KCNH2USP30
SCHEMBL19473749 0.74 KCNJ1 (0.65) KCNJ1KCNH2
SCHEMBL19473769 0.73 NSD2 (0.52) KCNJ1KCNH2USP30
SCHEMBL19457712 0.73 KCNJ1 (0.87) KCNJ1KCNH2
SCHEMBL19457869 0.73 KCNJ1 (0.87) KCNJ1KCNH2

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 KCNJ1 9/4885KCNH2 38/4885PRKAA2 312/4885
US-20190152959-A1 PROCESSES FOR PREPARING PYRIDINE CARBOXAMIDE DERIVATIVES CPS1, PDXK, SDHA KCNJ1 2381/4885KCNH2 1134/4885PRKAA2 1687/4885
US-10442794-B2 Processes for preparing pyridine carboxamide derivatives CPS1, PDXK, SDHA KCNJ1 2381/4885KCNH2 1134/4885PRKAA2 1687/4885
US-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF KCNK2, KCNJ2, KCNK5 KCNJ1 7/4885KCNH2 15/4885PRKAA2 701/4885
US-10364234-B2 Pyridinecarboxamide derivatives, preparation method thereof and pharmaceutical uses thereof KCNK2, KCNJ2, KCNK5 KCNJ1 7/4885KCNH2 15/4885PRKAA2 701/4885
US-10759788-B2 Pharmaceutical uses of pyridine carboxamide derivatives CASK, PDXK, NADK KCNJ1 9/4885KCNH2 38/4885PRKAA2 312/4885

“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