SCHEMBL21177211

SCHEMBL21177211

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
RIPK2 O43353 1/20 0.35
NTRK1 P04629 1/20 0.34
NMT1 P30419 1/20 0.33
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
FFAR1 O14842 2/20 0.31
MAPK14 Q16539 1/20 0.31
SMO Q99835 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
NPC1 O15118 1/20 0.31
JAK2 O60674 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
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
SCHEMBL21189441 0.90 PDK1 (0.34) PDK1RIPK2NMT1MAPK14SMO
SCHEMBL30391515 0.90 PDK1 (0.34) PDK1RIPK2NMT1MAPK14SMO
SCHEMBL21177361 0.87 PDK1 (0.41) PDK1RIPK2NTRK1NMT1F2
SCHEMBL21177532 0.87 PDK1 (0.40) PDK1RIPK2NTRK1NMT1F2
SCHEMBL21189494 0.82 PDK1 (0.35) PDK1NTRK1NMT1F2FFAR1
SCHEMBL21189605 0.79 PDK1 (0.35) PDK1RIPK2NTRK1NMT1F2
SCHEMBL30391724 0.79 PDK1 (0.35) PDK1RIPK2NTRK1NMT1F2
SCHEMBL21189442 0.78 PDK1 (0.34) PDK1RIPK2
SCHEMBL30391510 0.78 PDK1 (0.34) PDK1RIPK2
SCHEMBL21177213 0.78 THRB (0.37) PDK1RIPK2NTRK1NMT1MAPK14

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 PDK1 178/4885RIPK2 177/4885NTRK1 4291/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA PDK1 422/4885RIPK2 158/4885NTRK1 3146/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A PDK1 180/4885RIPK2 173/4885NTRK1 4303/4885

“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.