Sugi Predict

Sugi Predict / Compounds / SCHEMBL19748833

SCHEMBL19748833

SCHEMBL19748833

CC(C)c1ccc(NC(=O)NC2CCN(c3ccc(C#N)nn3)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 5/20 0.64
▸ EPHX2 P34913 3/20 0.51
▸ TP53 P04637 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ USP30 Q70CQ3 1/20 0.47
▸ CCNC P24863 4/20 0.47
▸ CDK8 P49336 4/20 0.47
▸ CA12 O43570 6/20 0.46
▸ CA1 P00915 6/20 0.46
▸ CA2 P00918 6/20 0.46
▸ CA4 P22748 6/20 0.46
▸ CA7 P43166 6/20 0.46
▸ CA9 Q16790 6/20 0.46

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
SCHEMBL19748831 1.00 PANK3 (0.64) PANK3EPHX2TP53EPHX1NFKB1
SCHEMBL21424077 0.92 PANK3 (0.66) PANK3EPHX2TP53EPHX1NFKB1
SCHEMBL26501571 0.87 EPHX2 (0.55) PANK3EPHX2TP53EPHX1NFKB1
SCHEMBL21406376 0.85 PANK3 (0.63) PANK3USP30
SCHEMBL19748801 0.85 PANK3 (0.63) PANK3USP30
SCHEMBL19748803 0.85 PANK3 (0.63) PANK3USP30
SCHEMBL21423787 0.83 PANK3 (0.61) PANK3EPHX2TP53EPHX1NFKB1
SCHEMBL21423788 0.83 PANK3 (0.61) PANK3EPHX2TP53EPHX1NFKB1
SCHEMBL21424339 0.83 PANK3 (0.61) PANK3EPHX2TP53EPHX1NFKB1
SCHEMBL21424337 0.83 PANK3 (0.61) PANK3EPHX2TP53EPHX1NFKB1

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-12552765-B2 Small molecule modulators of pantothenate kinases ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2026-02-17 — — US disclosed
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-08-12 — — US disclosed
CN-109561680-B Small molecule modulators of pantothenate kinase 圣朱德儿童研究医院 2021-07-13 — — CN disclosed
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-03 — — US disclosed
EP-3474667-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES St. Jude Children's Research Hospital, Inc. (US) 2019-05-01 — — EP disclosed
WO-2017223474-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-12-28 — — WO 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-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885EPHX2 2005/4885TP53 1099/4885
US-12552765-B2 Small molecule modulators of pantothenate kinases PANK3, PANK1, PANK2 PANK3 1/4885EPHX2 1437/4885TP53 997/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885EPHX2 2005/4885TP53 1099/4885

“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.