SCHEMBL21189736

SCHEMBL21189736

CN(CCO)C(=O)c1cc(Br)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
CYP1A2 P05177 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL21177418 0.91 ALDH1A1 (0.63) ALDH1A1CYP1A2SMN1; SMN2HPGDMAPT
SCHEMBL21177350 0.83 ALDH1A1 (0.44) ALDH1A1CYP1A2SMN1; SMN2HPGDMAPT
SCHEMBL21177338 0.82 ALDH1A1 (0.59) ALDH1A1CYP1A2SMN1; SMN2HPGDMAPT
SCHEMBL30514841 0.82 ALDH1A1 (0.59) ALDH1A1CYP1A2SMN1; SMN2HPGDMAPT
SCHEMBL22859154 0.80 UTS2R (0.43) ALDH1A1CYP1A2SMN1; SMN2HPGDMAPT
SCHEMBL21177597 0.79 POLB (0.48) ALDH1A1CYP1A2SMN1; SMN2MAPTKDM4E
SCHEMBL20786407 0.79 DGAT1 (0.50) ALDH1A1CYP1A2SMN1; SMN2KDM4EKMT2A
SCHEMBL9696161 0.77 ALDH1A1 (0.55) ALDH1A1CYP1A2SMN1; SMN2MAPTKDM4E
SCHEMBL4703665 0.76 MAPT (0.51) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL4707506 0.76 MAPT (0.51) ALDH1A1HPGDMAPTKMT2AHTT

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
CN-117069728-A PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2023-11-17 CN disclosed
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-05-16 US disclosed
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-05-16 US disclosed
US-20230124394-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-20 US disclosed
US-20210387988-A1 PI4KIIIbeta Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-12-16 US disclosed
WO-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 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-20230124394-A1 PI4KIIIBETA INHIBITORS PI4KB, PI4K2B, PI4K2A ALDH1A1 4847/4885CYP1A2 3634/4885SMN1; SMN2 4317/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA ALDH1A1 4417/4885CYP1A2 1750/4885SMN1; SMN2 4271/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A ALDH1A1 4857/4885CYP1A2 3670/4885SMN1; SMN2 4375/4885

“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.