SCHEMBL21177436

SCHEMBL21177436

CCN(CCO)C(=O)c1cc(Br)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.44
TRPV1 Q8NER1 3/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
BLM P54132 1/20 0.42
STAT3 P40763 1/20 0.41

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
SCHEMBL30514825 1.00 USP2 (0.45) USP2ALDH1A1CYP1A2MAPTGFER
SCHEMBL18740487 0.85 TP53 (0.50) USP2ALDH1A1CYP1A2MAPTGFER
SCHEMBL21177597 0.83 POLB (0.48) ALDH1A1CYP1A2MAPTGFERSMN1; SMN2
SCHEMBL21189733 0.82 USP2 (0.48) USP2ALDH1A1GFERSMN1; SMN2TSHR
SCHEMBL21177338 0.81 ALDH1A1 (0.59) USP2ALDH1A1CYP1A2MAPTSMN1; SMN2
SCHEMBL30514841 0.81 ALDH1A1 (0.59) USP2ALDH1A1CYP1A2MAPTSMN1; SMN2
SCHEMBL21179414 0.78 MAPT (0.46) ALDH1A1CYP1A2MAPTGFERSMN1; SMN2
SCHEMBL21189712 0.76 ALDH1A1 (0.60) ALDH1A1CYP1A2MAPTGFERSMN1; SMN2
SCHEMBL21177449 0.76 TRPV1 (0.38) ALDH1A1CYP1A2MAPTHSD17B10TSHR
SCHEMBL8901809 0.74 MAPT (0.57) ALDH1A1CYP1A2MAPTHSD17B10TSHR

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 14 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
CN-111868063-B PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2023-08-01 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
CN-111868063-A PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2020-10-30 CN 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 USP2 3670/4885ALDH1A1 4847/4885CYP1A2 3634/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA USP2 3920/4885ALDH1A1 4417/4885CYP1A2 1750/4885
US-20240336618-A1 PI4KIIIBETA INHIBITORS PI4KB, PI4K2B, PI4K2A USP2 3683/4885ALDH1A1 4857/4885CYP1A2 3670/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A USP2 3683/4885ALDH1A1 4857/4885CYP1A2 3670/4885

“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.