SCHEMBL16708472

SCHEMBL16708472

CC[C@H]1O[C@@H](c2ccc3c(NC(=O)c4ccccc4)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ P2RY6 Q15077 2/20 0.34
▸ P2RY14 Q15391 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL16708492 0.92 TMPRSS2 (0.41) TMPRSS2TDP1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL16708473 0.91 TMPRSS2 (0.49) TMPRSS2TDP1ADORA1SLC5A2
SCHEMBL24791786 0.84 TMPRSS2 (0.39) TMPRSS2TDP1SMN1; SMN2P2RY6P2RY14
SCHEMBL25912544 0.83 TMPRSS2 (0.43) TMPRSS2TDP1HTTADORA1
SCHEMBL16708477 0.83 TMPRSS2 (0.47) TMPRSS2TDP1ADORA1
SCHEMBL16708509 0.82 TMPRSS2 (0.41) TMPRSS2TDP1BRD4P2RY6P2RY14
SCHEMBL18371663 0.81 PTPN2 (0.37) TMPRSS2TDP1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL16708470 0.81 PTPN2 (0.37) TMPRSS2TDP1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL16708476 0.81 SMN1; SMN2 (0.35) TMPRSS2TDP1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL16708480 0.80 TMPRSS2 (0.43) TMPRSS2TDP1SMN1; SMN2CYP1A2CYP3A4

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 6 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-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-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

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 20/4885TDP1 624/4885SMN1; SMN2 507/4885
US-20180016280-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 TMPRSS2 20/4885TDP1 624/4885SMN1; SMN2 507/4885
US-20150133395-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 TMPRSS2 20/4885TDP1 624/4885SMN1; SMN2 507/4885

“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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