SCHEMBL110249

SCHEMBL110249

C[Sn](C)(C)c1cc(Cl)cc2c1cnn2S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.43
CYP2C19 P33261 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SLC9A1 P19634 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SRC P12931 1/20 0.33
OPRM1 P35372 1/20 0.33

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 0.83 HTR6 (0.45) HTR6CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL19221916 0.81 HTR6 (0.44) HTR6CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL469930 0.81 HTR6 (0.45) HTR6CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL27856070 0.77 HTR6 (0.41) HTR6CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL458467 0.75 HTR6 (0.43) HTR6CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL28805323 0.73 KMO (0.47) HTR6CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL458128 0.71 HTR6 (0.39) HTR6CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL12450255 0.70 HTR6 (0.45) HTR6CYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL111538 0.69 KMT2A (0.39) HTR6CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL110755 0.69 HTR6 (0.39) HTR6CYP2C19NPSR1CYP1A2CYP2C9

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 42 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-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-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-20190175608-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2019-06-13 US disclosed
US-20180325911-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2018-11-15 US disclosed
EP-2632921-B1 POLYMORPHS AND SALTS OF 6-(1H-INDOL-4-YL)-4-(5-{[4-(1-METHYLETHYL)-1-PIPERAZINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOLE AS PI3K INHIBITORS FOR USE IN THE TREATMENT OF E.G. RESPIRATORY DISORDERS GLAXO GROUP LTD (GB) 2018-10-17 EP disclosed
EP-3260453-A1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS Glaxo Group Limited (GB) 2017-12-27 EP disclosed
US-20130203772-A1 Polymorphs and Salts GLAXO GROUP LIMITED (GB) 2013-08-08 US disclosed
US-20130165441-A1 Novel Polymorphs and Salts GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20130131080-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-05-23 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
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-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 (16 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-20130165441-A1 Novel Polymorphs and Salts PRKDC, PRKACA, MAP3K20 HTR6 4166/4885CYP2C19 1206/4885NPSR1 3196/4885
US-20130029985-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885CYP2C19 1453/4885NPSR1 2837/4885
US-20130131080-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885CYP2C19 1453/4885NPSR1 2837/4885
US-10624898-B2 Compounds PIK3CA, PIK3CD, PIK3C3 HTR6 4089/4885CYP2C19 754/4885NPSR1 2131/4885
US-10383879-B2 Compounds PIK3CA, PIK3CD, PIK3C3 HTR6 4089/4885CYP2C19 754/4885NPSR1 2131/4885
US-10946025-B2 Compounds PIK3CA, PIK3CD, PIK3C3 HTR6 4089/4885CYP2C19 754/4885NPSR1 2131/4885
US-20190328744-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4445/4885CYP2C19 1942/4885NPSR1 2317/4885
US-20100280045-A1 NOVEL COMPOUNDS PLK3, PLK1, PLK2 HTR6 3865/4885CYP2C19 4031/4885NPSR1 3968/4885
US-20180325911-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4445/4885CYP2C19 1942/4885NPSR1 2317/4885
US-20190175608-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4445/4885CYP2C19 1942/4885NPSR1 2317/4885
US-20100280029-A1 NOVEL COMPOUNDS PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885CYP2C19 1453/4885NPSR1 2837/4885
US-20130203772-A1 Polymorphs and Salts PRKDC, PRKACA, MAP3K6 HTR6 4164/4885CYP2C19 934/4885NPSR1 3294/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 HTR6 1564/4885CYP2C19 2386/4885NPSR1 160/4885
US-20120046286-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885CYP2C19 1453/4885NPSR1 2837/4885
US-20130096117-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885CYP2C19 1453/4885NPSR1 2837/4885
US-20200206237-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4445/4885CYP2C19 1942/4885NPSR1 2317/4885

“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.