SCHEMBL16710852

SCHEMBL16710852

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.35
▸ NR1H4 Q96RI1 2/20 0.33
▸ LMNA P02545 4/20 0.33
▸ TP53 P04637 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ ROCK2 O75116 1/20 0.32

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
SCHEMBL19101893 0.85 BCHE (0.40) TMPRSS2TP53
SCHEMBL15606978 0.80 GJB2 (0.31) —
SCHEMBL15605849 0.80 DOT1L (0.34) —
SCHEMBL20755817 0.78 PTPN1 (0.37) TMPRSS2MEN1KMT2ANPC1TDP1
SCHEMBL18571873 0.78 GJB2 (0.30) —
SCHEMBL17130416 0.78 GJB2 (0.30) —
SCHEMBL18371663 0.78 PTPN2 (0.37) TMPRSS2KDM4EMEN1TSHRKMT2A
SCHEMBL16708470 0.78 PTPN2 (0.37) TMPRSS2KDM4EMEN1TSHRKMT2A
SCHEMBL15607063 0.77 ADORA3 (0.42) —
SCHEMBL16708472 0.77 TMPRSS2 (0.42) TMPRSS2KDM4ETSHRNPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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 20/4885NR1H4 3829/4885LMNA 2638/4885
US-20150133395-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 TMPRSS2 20/4885NR1H4 3829/4885LMNA 2638/4885

“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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