SCHEMBL16710856

SCHEMBL16710856

N#C[C@]1(CO)O[C@@H](c2ccc3c(NC(=O)c4ccccc4)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.51
▸ EGLN2 Q96KS0 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ POLRMT O00411 1/20 0.34
▸ ABL1 P00519 1/20 0.32
▸ RIN1 Q13671 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ TMIGD3 P0DMS9 1/20 0.32
▸ CSF1R P07333 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL16710418 1.00 TMPRSS2 (0.51) TMPRSS2EGLN2NPC1ALDH1A1ATM
SCHEMBL19101807 0.91 TMPRSS2 (0.48) TMPRSS2EGLN2NPC1ALDH1A1ATM
SCHEMBL25392214 0.91 TMPRSS2 (0.44) TMPRSS2POLRMT
SCHEMBL25385813 0.86 TMPRSS2 (0.42) TMPRSS2POLRMT
SCHEMBL19101767 0.84 TMPRSS2 (0.47) TMPRSS2NPC1ALDH1A1ATMTDP1
SCHEMBL26823086 0.83 TMPRSS2 (0.40) TMPRSS2POLRMT
SCHEMBL16708484 0.82 TMPRSS2 (0.42) TMPRSS2EGLN2NPC1ALDH1A1ATM
SCHEMBL16708488 0.82 TMPRSS2 (0.43) TMPRSS2EGLN2NPC1ALDH1A1ATM
SCHEMBL16708506 0.80 POLRMT (0.51) TMPRSS2NPC1ALDH1A1ATMTDP1
SCHEMBL20819155 0.80 TMPRSS2 (0.56) TMPRSS2EGLN2NPC1ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20150133395-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 TMPRSS2 20/4885EGLN2 1181/4885NPC1 2166/4885

“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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