SCHEMBL659419

SCHEMBL659419

CC(C)(C)[Si](C)(C)n1ccc2c(-c3cc(-c4ncc(CO)o4)c4cnn(S(=O)(=O)c5ccccc5)c4c3)cccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.39
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 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
SCHEMBL18388930 0.88 HTR6 (0.43) HTR6DRD2HTR2APIK3C3HSD17B1
SCHEMBL111404 0.87 LMNA (0.36) HTR6PIK3C3
SCHEMBL110755 0.77 HTR6 (0.39) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL18389137 0.75 HTR6 (0.39) HTR6DRD2HTR2APIK3C3
SCHEMBL470203 0.69 PIK3CD (0.67) HTR6
SCHEMBL27933961 0.69 HTR6 (0.36) HTR6
SCHEMBL456984 0.68 HTR6 (0.37) HTR6
SCHEMBL23569703 0.68 HTR6 (0.57) HTR6DRD2HTR2AHDAC3HDAC4
SCHEMBL716071 0.65 ATR (0.35) HTR6
SCHEMBL661574 0.65 CCNK (0.39) HTR6

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3260453-B1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LTD (GB) 2021-03-31 EP disclosed
US-10946025-B2 Compounds GLAXO GROUP LIMITED (GB) 2021-03-16 US disclosed
US-10946025-B2 Compounds GLAXO GROUP LIMITED (GB) 2021-03-16 US disclosed
US-20200206237-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2020-07-02 US disclosed
US-20200206237-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2020-07-02 US disclosed
US-10624898-B2 Compounds GLAXO GROUP LIMITED (GB) 2020-04-21 US disclosed
US-10624898-B2 Compounds GLAXO GROUP LIMITED (GB) 2020-04-21 US disclosed
US-20190328744-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2019-10-31 US disclosed
US-20190328744-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2019-10-31 US disclosed
US-10383879-B2 Compounds GLAXO GROUP LIMITED (GB) 2019-08-20 US disclosed
US-20130096117-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-04-18 US disclosed
US-20130096117-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-04-18 US disclosed
US-20130029985-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130029985-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20120046286-A1 Novel Compounds HAMBLIN JULIE NICOLE (GB) 2012-02-23 US disclosed
US-20120046286-A1 Novel Compounds HAMBLIN JULIE NICOLE (GB) 2012-02-23 US disclosed
US-20100280045-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280045-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280029-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280029-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US 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 (10 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-20130029985-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885DRD2 3730/4885HTR2A 4749/4885
US-10624898-B2 Compounds PIK3CA, PIK3CD, PIK3C3 HTR6 4089/4885DRD2 3660/4885HTR2A 4721/4885
US-10383879-B2 Compounds PIK3CA, PIK3CD, PIK3C3 HTR6 4089/4885DRD2 3660/4885HTR2A 4721/4885
US-10946025-B2 Compounds PIK3CA, PIK3CD, PIK3C3 HTR6 4089/4885DRD2 3660/4885HTR2A 4721/4885
US-20190328744-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4445/4885DRD2 4173/4885HTR2A 4781/4885
US-20100280045-A1 NOVEL COMPOUNDS PLK3, PLK1, PLK2 HTR6 3865/4885DRD2 4458/4885HTR2A 4514/4885
US-20100280029-A1 NOVEL COMPOUNDS PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885DRD2 3730/4885HTR2A 4749/4885
US-20120046286-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885DRD2 3730/4885HTR2A 4749/4885
US-20130096117-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885DRD2 3730/4885HTR2A 4749/4885
US-20200206237-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4445/4885DRD2 4173/4885HTR2A 4781/4885

“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.