SCHEMBL22646505

SCHEMBL22646505

N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.38
▸ TMPRSS2 O15393 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ HSPA5 P11021 1/20 0.32
▸ PTPN1 P18031 4/20 0.32
▸ CDC25B P30305 4/20 0.32
▸ BCHE P06276 2/20 0.31
▸ ACHE P22303 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
SCHEMBL24158032 1.00 PDE2A (0.38) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL12243178 0.92 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL27086511 0.92 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL20477154 0.92 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL29727834 0.92 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL17712276 0.92 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL20553048 0.92 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL14817042 0.90 HSPA5 (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL31725309 0.89 PDE2A (0.36) PDE2ATMPRSS2HSPA5
Maleic Acid SCHEMBL20552110 0.86 TMPRSS2 (0.36) PDE2ATMPRSS2HSPA5PTPN1CDC25B

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-11007208-B2 Methods for treating arenaviridae and coronaviridae virus infections GILEAD SCIENCES, INC. (US) 2021-05-18 — — US disclosed
CN-110724174-B Pyrrolotriazine compound, composition and application thereof 广州六顺生物科技股份有限公司 2021-02-05 — — CN disclosed
US-20200352967-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2020-11-12 — — US disclosed
CN-110724174-A Pyrrolotriazine compound, composition and application thereof 嘉兴金派特生物科技有限公司 2020-01-24 — — CN 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-11007208-B2 Methods for treating arenaviridae and coronaviridae virus infections ACE, PNP, ACE2 PDE2A 3746/4885TMPRSS2 12/4885HTR1A 2011/4885
US-20200352967-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS ACE, PNP, ACE2 PDE2A 3746/4885TMPRSS2 12/4885HTR1A 2011/4885

“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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