SCHEMBL21179393

SCHEMBL21179393

CCOC(=O)Cc1cc(NCc2cccc(-c3nccn3C)c2)n2nc(C)c(I)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PI4KB Q9UBF8 7/20 0.37
THRB P10828 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
FPR1 P21462 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL21189851 0.93 KDM4E (0.39) KDM4EMAPTNPSR1HSP90AA1ALDH1A1
SCHEMBL21179415 0.87 GSK3B (0.48) KDM4EMAPTNPSR1HSP90AA1ALDH1A1
SCHEMBL24108584 0.86 GSK3B (0.40) KDM4EMAPTNPSR1HSP90AA1ALDH1A1
SCHEMBL21177429 0.85 KDM4E (0.40) KDM4EMAPTNPSR1HSP90AA1ALDH1A1
SCHEMBL21177643 0.84 KDM4E (0.39) KDM4EMAPTNPSR1HSP90AA1ALDH1A1
SCHEMBL21177410 0.84 KDM4E (0.37) KDM4EMAPTNPSR1HSP90AA1ALDH1A1
SCHEMBL21177217 0.84 KCNN3 (0.47) KDM4EMAPTNPSR1HSP90AA1ALDH1A1
SCHEMBL21177178 0.81 KDM4E (0.43) KDM4EMAPTNPSR1HSP90AA1ALDH1A1
SCHEMBL21177328 0.80 KDM4E (0.42) KDM4EMAPTNPSR1HSP90AA1ALDH1A1
SCHEMBL21179408 0.80 KDM4E (0.42) KDM4EMAPTNPSR1HSP90AA1ALDH1A1

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 7 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
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
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 KDM4E 691/4885MAPT 2882/4885NPSR1 4258/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA KDM4E 577/4885MAPT 2830/4885NPSR1 4200/4885
US-20240336618-A1 PI4KIIIBETA INHIBITORS PI4KB, PI4K2B, PI4K2A KDM4E 692/4885MAPT 2958/4885NPSR1 4201/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A KDM4E 692/4885MAPT 2958/4885NPSR1 4201/4885

“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.