SCHEMBL21177418

SCHEMBL21177418

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
CYP1A2 P05177 1/20 0.52
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.42
PDK2 Q15119 2/20 0.41
PDK1 Q15118 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL21189736 0.91 ALDH1A1 (0.67) ALDH1A1CYP1A2HPGDSMN1; SMN2KDM4E
SCHEMBL21177392 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2HPGDKDM4EPDK2
SCHEMBL21179414 0.81 MAPT (0.46) ALDH1A1CYP1A2SMN1; SMN2KDM4EHTT
SCHEMBL30514841 0.77 ALDH1A1 (0.59) ALDH1A1CYP1A2HPGDSMN1; SMN2THRB
SCHEMBL21177338 0.77 ALDH1A1 (0.59) ALDH1A1CYP1A2HPGDSMN1; SMN2THRB
SCHEMBL21177337 0.75 PDK2 (0.36) ALDH1A1PDK2PDK1PDK3PDK4
SCHEMBL21177350 0.75 ALDH1A1 (0.44) ALDH1A1CYP1A2HPGDSMN1; SMN2KDM4E
SCHEMBL30031498 0.74 HPGD (0.47) ALDH1A1CYP1A2HPGDSMN1; SMN2KDM4E
SCHEMBL30031942 0.73 ALDH1A1 (0.43) ALDH1A1CYP1A2KDM4EPDK2PDK1
SCHEMBL153277 0.73 ALDH1A1 (0.71) ALDH1A1CYP1A2HPGDKDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336618-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-10-10 US disclosed
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-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-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
US-20210387988-A1 PI4KIIIbeta Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-12-16 US disclosed
EP-3740489-A1 PI4KIIIBETA INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-11-25 EP disclosed
WO-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 WO 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 (4 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 3634/4885HPGD 4604/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA ALDH1A1 4417/4885CYP1A2 1750/4885HPGD 4357/4885
US-20240336618-A1 PI4KIIIBETA INHIBITORS PI4KB, PI4K2B, PI4K2A ALDH1A1 4857/4885CYP1A2 3670/4885HPGD 4563/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A ALDH1A1 4857/4885CYP1A2 3670/4885HPGD 4563/4885

“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.