SCHEMBL16708473

SCHEMBL16708473

O=C(Nc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.49
▸ LGALS9 O00182 1/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ LGALS3 P17931 1/20 0.40
▸ LGALS7; LGALS7B P47929 1/20 0.40
▸ HK1 P19367 2/20 0.39
▸ HK2 P52789 2/20 0.39
▸ ADORA1 P30542 5/20 0.39
▸ ADK P55263 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SLC5A2 P31639 1/20 0.37

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
SCHEMBL16708477 0.91 TMPRSS2 (0.47) TMPRSS2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL16708472 0.91 TMPRSS2 (0.42) TMPRSS2ADORA1TDP1SLC5A2
SCHEMBL25912544 0.86 TMPRSS2 (0.43) TMPRSS2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL25495987 0.85 TMPRSS2 (0.41) TMPRSS2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL19101768 0.85 TMPRSS2 (0.42) TMPRSS2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL24791786 0.85 TMPRSS2 (0.39) TMPRSS2ADORA1TDP1
SCHEMBL16708480 0.85 TMPRSS2 (0.43) TMPRSS2ADORA1ADORA3TDP1
SCHEMBL25399504 0.84 TMPRSS2 (0.44) TMPRSS2LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL23959991 0.83 ADK (0.39) TMPRSS2ADKADORA3TDP1SLC5A2
SCHEMBL16708492 0.83 TMPRSS2 (0.41) TMPRSS2TDP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016280-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. 2018-01-18 — — US disclosed
US-20180016280-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. 2018-01-18 — — US disclosed
US-9701682-B2 Pyrrolo[1,2-f][1,2,4]triazines useful for treating respiratory syncitial virus infections GILEAD SCIENCES, INC. (US) 2017-07-11 — — US disclosed
US-9701682-B2 Pyrrolo[1,2-f][1,2,4]triazines useful for treating respiratory syncitial virus infections GILEAD SCIENCES, INC. (US) 2017-07-11 — — US disclosed
US-20170008897-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. 2017-01-12 — — US disclosed
US-20170008897-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. 2017-01-12 — — US disclosed
US-9388208-B2 Pyrrolo[1,2-f][1,2,4]triazines useful for treating respiratory syncitial virus infections GILEAD SCIENCES, INC. (US) 2016-07-12 — — US disclosed
US-9388208-B2 Pyrrolo[1,2-f][1,2,4]triazines useful for treating respiratory syncitial virus infections GILEAD SCIENCES, INC. (US) 2016-07-12 — — US disclosed
WO-2015069939-A1 PYRROLO [1,2,F] [1,2,4] TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2015-05-14 — — WO disclosed
US-20150133395-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS ROSEMOUNT INC. 2015-05-14 — — US disclosed
US-20150133395-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS ROSEMOUNT INC. 2015-05-14 — — 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 (3 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-20170008897-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 TMPRSS2 20/4885LGALS9 4696/4885LGALS1 3258/4885
US-20180016280-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 TMPRSS2 20/4885LGALS9 4696/4885LGALS1 3258/4885
US-20150133395-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 TMPRSS2 20/4885LGALS9 4696/4885LGALS1 3258/4885

“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.

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