SCHEMBL2563784

SCHEMBL2563784

C=CCSn1cnc2cncnc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.38
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ USP2 O75604 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
SCHEMBL7592031 0.79 FDPS (0.40) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL27535766 0.74 FDPS (0.40) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL1371020 0.73 FDPS (0.40) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL11543167 0.73 FDPS (0.42) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL1079073 0.72 FDPS (0.50) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL11457654 0.71 ADORA2A (0.55) —
SCHEMBL3210897 0.71 ADORA2A (0.35) —
SCHEMBL434034 0.71 FDPS (0.44) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL9081767 0.70 HDAC1 (0.40) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL27773228 0.69 FDPS (0.37) FDPSHDAC1HDAC6LTA4HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107898790-A For treating or preventing the antiviral JAK inhibitor of retrovirus and other virus infection 埃默里大学 2018-04-13 — — CN disclosed
CN-107709344-A For treating the nucleoside analog of flaviviridae and cancer 共晶制药股份有限公司 2018-02-16 — — CN disclosed
CN-107108683-A 2 ', 2' -dihalonucleoside analogs for the treatment of flaviviridae viruses and cancer 共晶制药股份有限公司 2017-08-29 — — CN disclosed
CN-104185420-B Antiviral JAK inhibitors for the treatment or prevention of retroviral and other viral infections 埃默里大学 2017-06-09 — — CN disclosed
CN-106661004-A Potent and selective inhibitors of hepatitis c virus 共晶制药股份有限公司 2017-05-10 — — CN disclosed
CN-104470939-B D-amino acid compounds for liver diseases 埃迪尼克斯医药有限责任公司 2017-04-26 — — CN disclosed
CN-106536538-A 2'-disubstituted nucleoside analogs for treatment of the flaviviridae family of viruses and cancer 共晶制药股份有限公司 2017-03-22 — — CN disclosed
CN-102803263-B Purine compounds useful as CB2 agonists LILLY CO ELI 2014-12-17 — — CN disclosed
EP-2552916-B1 PURINE COMPOUNDS USED AS CB2 AGONISTS LILLY CO ELI (US) 2014-05-21 — — EP disclosed
US-8710063-B2 Purine compounds used as CB2 agonists ELI LILLY AND COMPANY (US) 2014-04-29 — — US disclosed
EP-2552916-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS Eli Lilly and Company (US) 2013-02-06 — — EP disclosed
US-20120329809-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS ELI LILLY AND COMPANY (US) 2012-12-27 — — US disclosed
CN-102803263-A Purine compounds useful as CB2 agonists LILLY CO ELI 2012-11-28 — — CN disclosed
WO-2011123482-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS ELI LILLY AND COMPANY (US) 2011-10-06 — — WO 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-20120329809-A1 PURINE COMPOUNDS USED AS CB2 AGONISTS CNR2, CNR1, P2RX7 FDPS 1522/4885HDAC1 4613/4885HDAC6 4651/4885

“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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