SCHEMBL21189605

SCHEMBL21189605

Cc1nn2c(N(Cc3cccc(-c4nccn4C)c3)C(=O)OC(C)(C)C)cc(Cl)nc2c1I

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.35
MCL1 Q07820 1/20 0.32
BRD4 O60885 1/20 0.31
RIPK2 O43353 1/20 0.31
NMT1 P30419 1/20 0.31
FFAR1 O14842 2/20 0.30
F2 P00734 1/20 0.30
NTRK1 P04629 1/20 0.30
KIF18A Q8NI77 1/20 0.30

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
SCHEMBL30391724 1.00 PDK1 (0.35) PDK1MCL1BRD4RIPK2NMT1
SCHEMBL21189604 0.93 PDK1 (0.35) PDK1MCL1BRD4NMT1FFAR1
SCHEMBL30391515 0.90 PDK1 (0.34) PDK1MCL1RIPK2NMT1KIF18A
SCHEMBL21189441 0.90 PDK1 (0.34) PDK1MCL1RIPK2NMT1KIF18A
SCHEMBL21189442 0.89 PDK1 (0.34) PDK1MCL1RIPK2
SCHEMBL30391510 0.89 PDK1 (0.34) PDK1MCL1RIPK2
SCHEMBL30392128 0.89 PDK1 (0.34) PDK1MCL1RIPK2
SCHEMBL21189625 0.89 PDK1 (0.34) PDK1MCL1RIPK2
SCHEMBL21189840 0.88 PDK1 (0.33) PDK1MCL1KIF18A
SCHEMBL21189494 0.83 PDK1 (0.35) PDK1MCL1NMT1FFAR1F2

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-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 PDK1 178/4885MCL1 2355/4885BRD4 623/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA PDK1 422/4885MCL1 2854/4885BRD4 572/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A PDK1 180/4885MCL1 2518/4885BRD4 650/4885

“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.