SCHEMBL111404

SCHEMBL111404

CCOC(=O)c1cnc(-c2cc(-c3cccc4c3ccn4[Si](C)(C)C(C)(C)C)cc3c2cnn3S(=O)(=O)c2ccccc2)o1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.35
HTR6 P50406 10/20 0.35
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.32
BCHE P06276 2/20 0.32

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
SCHEMBL18389137 0.89 HTR6 (0.39) LMNAALDH1A1HTTNPSR1PKM
SCHEMBL659419 0.87 HTR6 (0.39) PIK3C3HTR6
SCHEMBL109862 0.80 ALDH1A1 (0.42) LMNAALDH1A1HTTNPSR1PKM
SCHEMBL18388930 0.75 HTR6 (0.43) PIK3C3HTR6BCHE
SCHEMBL111538 0.71 KMT2A (0.39) ALDH1A1NPSR1MAPK1PIK3C3HTR6
SCHEMBL458128 0.68 HTR6 (0.39) NPSR1HTR6KMT2A
SCHEMBL715648 0.66 HTR6 (0.36) ALDH1A1PIK3C3HTR6BCHE
SCHEMBL1721268 0.64 SCN9A (0.36) PIK3C3HTR6
SCHEMBL23569703 0.64 HTR6 (0.57) ALDH1A1HTTHTR6MEN1MAPT
SCHEMBL17776507 0.64 TARBP2 (0.56) LMNAALDH1A1NPSR1MAPK1MAPT

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 70 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-20130029985-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
EP-2424864-A1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS Glaxo Group Limited (GB) 2012-03-07 EP 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
WO-2010125082-A1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 LMNA 4672/4885ALDH1A1 2100/4885HTT 3650/4885
US-10624898-B2 Compounds PIK3CA, PIK3CD, PIK3C3 LMNA 4445/4885ALDH1A1 2224/4885HTT 2945/4885
US-10383879-B2 Compounds PIK3CA, PIK3CD, PIK3C3 LMNA 4445/4885ALDH1A1 2224/4885HTT 2945/4885
US-10946025-B2 Compounds PIK3CA, PIK3CD, PIK3C3 LMNA 4445/4885ALDH1A1 2224/4885HTT 2945/4885
US-20190328744-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B LMNA 4593/4885ALDH1A1 2899/4885HTT 3830/4885
US-20100280045-A1 NOVEL COMPOUNDS PLK3, PLK1, PLK2 LMNA 1325/4885ALDH1A1 3472/4885HTT 4008/4885
US-20100280029-A1 NOVEL COMPOUNDS PIK3CD, PIK3CA, PIK3C2B LMNA 4672/4885ALDH1A1 2100/4885HTT 3650/4885
US-20120046286-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B LMNA 4672/4885ALDH1A1 2100/4885HTT 3650/4885
US-20200206237-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B LMNA 4593/4885ALDH1A1 2899/4885HTT 3830/4885

“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.