SCHEMBL469930

SCHEMBL469930

O=S(=O)(c1ccccc1)n1ncc2c(I)cc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.45
SLC9A1 P19634 1/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SRC P12931 1/20 0.35
ALDH3A1 P30838 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 2/20 0.34

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
SCHEMBL14665921 0.84 HTR6 (0.45) HTR6SLC9A1CYP2C19NPSR1CYP1A2
SCHEMBL19221916 0.82 HTR6 (0.44) HTR6SLC9A1CYP2C19NPSR1CYP1A2
SCHEMBL110249 0.81 HTR6 (0.43) HTR6SLC9A1CYP2C19NPSR1CYP1A2
SCHEMBL27856070 0.78 HTR6 (0.41) HTR6SLC9A1CYP2C19NPSR1CYP1A2
SCHEMBL28805323 0.76 KMO (0.47) HTR6SLC9A1CYP2C19NPSR1CYP1A2
SCHEMBL458128 0.74 HTR6 (0.39) HTR6SLC9A1CYP2C19NPSR1CYP1A2
SCHEMBL456984 0.72 HTR6 (0.37) HTR6SLC9A1CYP2C19NPSR1CYP1A2
SCHEMBL110755 0.72 HTR6 (0.39) HTR6SLC9A1CYP2C19NPSR1CYP1A2
SCHEMBL22628628 0.71 HTR6 (0.49) HTR6SLC9A1CYP2C19CYP1A2CYP2C9
SCHEMBL27933961 0.71 HTR6 (0.36) HTR6CYP2C19NPSR1CYP1A2CYP3A4

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 103 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-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
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

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 4089/4885SLC9A1 1950/4885CYP2C19 754/4885
US-10946025-B2 Compounds PIK3CA, PIK3CD, PIK3C3 HTR6 4089/4885SLC9A1 1950/4885CYP2C19 754/4885
US-20190328744-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4445/4885SLC9A1 2347/4885CYP2C19 1942/4885
US-20100280045-A1 NOVEL COMPOUNDS PLK3, PLK1, PLK2 HTR6 3865/4885SLC9A1 4224/4885CYP2C19 4031/4885
US-20100280029-A1 NOVEL COMPOUNDS PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885SLC9A1 2509/4885CYP2C19 1453/4885
US-20120046286-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885SLC9A1 2509/4885CYP2C19 1453/4885
US-20200206237-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4445/4885SLC9A1 2347/4885CYP2C19 1942/4885

“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.