SCHEMBL19748933

SCHEMBL19748933

C=C(C)c1ccc(CC(=O)NC2CCN(c3ccc(C#N)nn3)C2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 16/20 0.50
RIPK1 Q13546 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
TACR3 P29371 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
SCHEMBL31717392 1.00 PANK3 (0.50) PANK3RIPK1SIGMAR1JAK2JAK1
SCHEMBL19748934 1.00 PANK3 (0.50) PANK3RIPK1SIGMAR1JAK2JAK1
SCHEMBL26501563 0.89 GLS (0.41) PANK3SIGMAR1
SCHEMBL23750436 0.85 PANK3 (0.51) PANK3RIPK1SIGMAR1JAK2JAK1
SCHEMBL21423669 0.85 PANK3 (0.51) PANK3RIPK1SIGMAR1
SCHEMBL31717785 0.85 PANK3 (0.51) PANK3RIPK1SIGMAR1
SCHEMBL24536009 0.85 PANK3 (0.50) PANK3RIPK1TACR3
SCHEMBL21406384 0.83 PANK3 (0.52) PANK3RIPK1JAK2JAK1JAK3
SCHEMBL31717786 0.83 PANK3 (0.52) PANK3RIPK1JAK2JAK1JAK3
SCHEMBL21406381 0.83 PANK3 (0.52) PANK3RIPK1JAK2JAK1JAK3

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 3/4885RIPK1 87/4885SIGMAR1 4815/4885
US-12552765-B2 Small molecule modulators of pantothenate kinases PANK3, PANK1, PANK2 PANK3 1/4885RIPK1 171/4885SIGMAR1 3923/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885RIPK1 87/4885SIGMAR1 4815/4885

“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.