SCHEMBL22489618

SCHEMBL22489618

CNc1ncc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cn1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 16/20 0.67
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL22489674 0.89 PANK3 (0.65) PANK3KDM4EALDH1A1GAAHPGD
SCHEMBL22489680 0.87 PANK3 (0.63) PANK3KDM4EALDH1A1GAAHPGD
SCHEMBL22489619 0.85 PANK3 (0.74) PANK3KDM4EALDH1A1GAAHPGD
SCHEMBL22489620 0.85 PANK3 (0.68) PANK3KDM4EALDH1A1GAAHPGD
SCHEMBL22489656 0.84 PANK3 (0.73) PANK3TRPV1
SCHEMBL22489695 0.84 PANK3 (0.69) PANK3
SCHEMBL22489623 0.83 PANK3 (0.66) PANK3KDM4EALDH1A1GAAHPGD
SCHEMBL19748649 0.81 PANK3 (1.00) PANK3
SCHEMBL19748456 0.78 PANK3 (1.00) PANK3
SCHEMBL22489528 0.78 PANK3 (0.78) PANK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2022-06-16 US disclosed
WO-2020198526-A2 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-10-01 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 (1 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-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK PANK2, PANK1, PANK3 PANK3 3/4885KDM4E 2487/4885ALDH1A1 4174/4885

“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.