SCHEMBL21177600

SCHEMBL21177600

COc1ccc(-c2c(C)nn3c(N(Cc4cccc(-c5nccn5C)c4)C(=O)O)cc(Cl)nc23)cc1S(=O)(=O)CCO

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.38
PI4KB Q9UBF8 11/20 0.38
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDK1 Q15118 1/20 0.34
PI4KA P42356 1/20 0.34
MAPT P10636 5/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRHR1 P34998 1/20 0.33

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
SCHEMBL30391927 0.93 PI4KB (0.36) ACLYPI4KBTSHRMAPK1KDM4E
SCHEMBL21189735 0.93 PI4KB (0.36) ACLYPI4KBTSHRMAPK1KDM4E
SCHEMBL21179450 0.91 PI4KB (0.37) ACLYPI4KBTSHRMAPK1KDM4E
SCHEMBL21189578 0.85 PI4KB (0.35) ACLYPI4KBTSHRMAPK1KDM4E
SCHEMBL30391794 0.85 PI4KB (0.35) ACLYPI4KBTSHRMAPK1KDM4E
SCHEMBL21177603 0.84 PI4KB (0.40) ACLYPI4KBTSHRMAPK1KDM4E
SCHEMBL21189737 0.81 CRHR1 (0.32) ACLYPI4KBTSHRMAPK1HSD17B10
SCHEMBL21177601 0.78 PI4KB (0.50) ACLYPI4KBKDM4EPI4KAMAPT
SCHEMBL21177336 0.78 PI4KB (0.50) ACLYPI4KBKDM4EPI4KAMAPT
SCHEMBL21179451 0.78 PI4KB (0.39) ACLYPI4KBTSHRMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 ACLY 2012/4885PI4KB 1/4885TSHR 3397/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA ACLY 2344/4885PI4KB 4/4885TSHR 3228/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A ACLY 2023/4885PI4KB 1/4885TSHR 3335/4885

“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.