SCHEMBL456984

SCHEMBL456984

O=S(=O)(c1ccccc1)n1ncc2c(-c3ncc(CBr)o3)cc(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.37
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC9A1 P19634 1/20 0.32
BRD4 O60885 1/20 0.30
ALDH3A1 P30838 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL110755 0.90 HTR6 (0.39) HTR6CYP2C19CYP3A4CYP2D6NPSR1
SCHEMBL27933961 0.88 HTR6 (0.36) HTR6CYP2C19CYP3A4CYP2D6NPSR1
SCHEMBL19221842 0.84 HTR6 (0.38) HTR6ALDH1A1MAPT
SCHEMBL458128 0.84 HTR6 (0.39) HTR6CYP2C19CYP3A4CYP2D6NPSR1
SCHEMBL660444 0.82 PIK3CD (0.41) HTR6ALDH1A1MAPT
SCHEMBL15049938 0.82 PIK3CD (0.41) HTR6ALDH1A1MAPT
SCHEMBL657902 0.82 PIK3CD (0.41) HTR6ALDH1A1MAPT
SCHEMBL13075179 0.80 CYP1A2 (0.34) HTR6CYP2C19CYP3A4CYP2D6NPSR1
SCHEMBL109862 0.80 ALDH1A1 (0.42) NPSR1ALDH1A1MAPT
SCHEMBL111538 0.80 KMT2A (0.39) HTR6CYP2C19CYP3A4CYP2D6NPSR1

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 114 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
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-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-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-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
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 (7 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-10624898-B2 Compounds PIK3CA, PIK3CD, PIK3C3 HTR6 4089/4885CYP2C19 754/4885CYP3A4 1034/4885
US-10946025-B2 Compounds PIK3CA, PIK3CD, PIK3C3 HTR6 4089/4885CYP2C19 754/4885CYP3A4 1034/4885
US-20190328744-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4445/4885CYP2C19 1942/4885CYP3A4 1813/4885
US-20100280045-A1 NOVEL COMPOUNDS PLK3, PLK1, PLK2 HTR6 3865/4885CYP2C19 4031/4885CYP3A4 3699/4885
US-20100280029-A1 NOVEL COMPOUNDS PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885CYP2C19 1453/4885CYP3A4 1686/4885
US-20120046286-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885CYP2C19 1453/4885CYP3A4 1686/4885
US-20200206237-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4445/4885CYP2C19 1942/4885CYP3A4 1813/4885

“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.