SCHEMBL20985108

SCHEMBL20985108

CC(C)(C)C1CC(NC(=O)c2cc(OC(F)F)c(C#N)cn2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.39
▸ USP30 Q70CQ3 7/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CNR2 P34972 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ RET P07949 4/20 0.34
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ F11 P03951 1/20 0.33

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
SCHEMBL20985107 0.86 SMYD3 (0.40) SMYD3CNR2
SCHEMBL19473757 0.80 USP30 (0.46) KCNJ1KCNH2USP30RET
SCHEMBL19457895 0.76 USP30 (0.44) KCNJ1KCNH2USP30CNR2RET
SCHEMBL19473758 0.76 SMYD3 (0.42) KCNJ1KCNH2SMYD3HPGDSFGFR4
Trifluoroacetic Acid SCHEMBL19457704 0.75 CDK4 (0.39) KCNJ1KCNH2SMYD3RXFP1HPGDS
Trifluoroacetic Acid SCHEMBL19639842 0.75 MEN1 (0.42) USP30RET
SCHEMBL20872894 0.74 KCNJ1 (0.53) KCNJ1KCNH2USP30HPGDSPRKAB2
SCHEMBL19639844 0.71 KCNJ1 (0.45) KCNJ1KCNH2USP30PRKAB2PRKAG1
SCHEMBL20985104 0.70 KMT2A (0.42) SMYD3CNR2PRKAB2PRKAG1PRKAA2
SCHEMBL19473769 0.69 NSD2 (0.52) KCNJ1KCNH2USP30

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 3 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-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 (3 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 38/4885SMYD3 4033/4885
US-20190152959-A1 PROCESSES FOR PREPARING PYRIDINE CARBOXAMIDE DERIVATIVES CPS1, PDXK, SDHA KCNJ1 2381/4885KCNH2 1134/4885SMYD3 3617/4885
US-10759788-B2 Pharmaceutical uses of pyridine carboxamide derivatives CASK, PDXK, NADK KCNJ1 9/4885KCNH2 38/4885SMYD3 4033/4885

“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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