SCHEMBL20985104

SCHEMBL20985104

O=C(NC1CCN(C(=O)O)CC1)c1cc(OC(F)F)c(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ PRKAA2 P54646 5/20 0.40
▸ PRKAB2 O43741 4/20 0.40
▸ PRKAG1 P54619 4/20 0.40
▸ PRKAA1 Q13131 4/20 0.40
▸ PRKAG3 Q9UGI9 4/20 0.40
▸ PRKAG2 Q9UGJ0 4/20 0.40
▸ PRKAB1 Q9Y478 4/20 0.40
▸ CNR2 P34972 9/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.38
▸ ABCB11 O95342 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ CNR1 P21554 1/20 0.37

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
SCHEMBL19457710 0.86 USP30 (0.50) KMT2AMEN1CNR2CNR1
SCHEMBL20985107 0.84 SMYD3 (0.40) CNR2SMYD3CNR1
SCHEMBL19457895 0.79 USP30 (0.44) KMT2AMEN1CNR2CNR1
SCHEMBL16973743 0.75 PRKAA2 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL19457902 0.74 HPGDS (0.42) KMT2AMEN1SMYD3
SCHEMBL18987769 0.74 HPGDS (0.50) —
SCHEMBL20872894 0.72 KCNJ1 (0.53) KMT2AMEN1PRKAA2PRKAB2PRKAG1
SCHEMBL19473757 0.72 USP30 (0.46) KMT2AMEN1
SCHEMBL19639844 0.71 KCNJ1 (0.45) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL23731477 0.70 HPGDS (0.53) —

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 5 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-20190152959-A1 PROCESSES FOR PREPARING PYRIDINE CARBOXAMIDE DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-05-23 — — US disclosed
US-20190152958-A1 PHARMACEUTICAL USES OF PYRIDINE CARBOXAMIDE DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-05-23 — — 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 (4 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 KMT2A 1897/4885MEN1 1604/4885PRKAA2 312/4885
US-20190152959-A1 PROCESSES FOR PREPARING PYRIDINE CARBOXAMIDE DERIVATIVES CPS1, PDXK, SDHA KMT2A 1137/4885MEN1 1352/4885PRKAA2 1687/4885
US-10442794-B2 Processes for preparing pyridine carboxamide derivatives CPS1, PDXK, SDHA KMT2A 1137/4885MEN1 1352/4885PRKAA2 1687/4885
US-10759788-B2 Pharmaceutical uses of pyridine carboxamide derivatives CASK, PDXK, NADK KMT2A 1897/4885MEN1 1604/4885PRKAA2 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.

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