SCHEMBL19101893

SCHEMBL19101893

O=C(Nc1ncnn2c([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc12)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ TACR2 P21452 2/20 0.40
▸ PTPN1 P18031 10/20 0.39
▸ CDC25B P30305 8/20 0.39
▸ PTPN2 P17706 7/20 0.39
▸ PTPN6 P29350 5/20 0.39
▸ PTPN11 Q06124 5/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ TMPRSS2 O15393 1/20 0.36
▸ CDC25A P30304 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL20755817 0.90 PTPN1 (0.37) BCHEPTPN1CDC25BPTPN2TMPRSS2
SCHEMBL19343920 0.86 HTR1A (0.41) BCHENT5ETACR2PTPN1CDC25B
SCHEMBL18371663 0.86 PTPN2 (0.37) PTPN1PTPN2TMPRSS2
SCHEMBL16708470 0.86 PTPN2 (0.37) PTPN1PTPN2TMPRSS2
SCHEMBL22570013 0.85 HTR1A (0.41) BCHENT5ETACR2PTPN1CDC25B
SCHEMBL17106818 0.81 HTR1A (0.43) BCHENT5EPTPN1CDC25BPTPN2
SCHEMBL25598746 0.81 HTR1A (0.43) BCHENT5EPTPN1CDC25BPTPN2
SCHEMBL29937393 0.81 HTR1A (0.43) BCHENT5ETACR2PTPN1CDC25B
SCHEMBL29937871 0.81 HTR1A (0.43) BCHENT5ETACR2PTPN1CDC25B
SCHEMBL17106820 0.81 HTR1A (0.43) BCHENT5EPTPN1CDC25BPTPN2

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-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

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-20180016280-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 BCHE 4586/4885NT5E 2146/4885TACR2 2123/4885

“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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