SCHEMBL3317095

SCHEMBL3317095

Nc1ncnc2c1ncn2C1OC(C=CP(=O)(O)O)CC1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 9/20 0.53
▸ HIF1A Q16665 1/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ P2RY1 P47900 4/20 0.51
▸ P2RY2 P41231 3/20 0.51
▸ SRC P12931 2/20 0.51
▸ ADORA1 P30542 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ DNPH1 O43598 1/20 0.51
▸ PRKAB2 O43741 1/20 0.51
▸ TRPM2 O94759 1/20 0.51
▸ LDHA P00338 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ FBP1 P09467 1/20 0.51
▸ PRKAG1 P54619 1/20 0.51
▸ PRKAA2 P54646 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ PRKAA1 Q13131 1/20 0.51

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
SCHEMBL13396504 1.00 AHCY (0.53) AHCYHIF1ATMEM97SIGMAR1P2RY1
SCHEMBL3320956 1.00 AHCY (0.53) AHCYHIF1ATMEM97SIGMAR1P2RY1
SCHEMBL13396546 0.88 P2RY2 (0.56) P2RY1P2RY2SRCADORA1SMN1; SMN2
SCHEMBL3319958 0.87 NT5E (0.49) AHCYHSP90B1
SCHEMBL3319967 0.87 NT5E (0.49) AHCYHSP90B1
SCHEMBL13396544 0.87 NT5E (0.49) AHCYHSP90B1
SCHEMBL3316851 0.85 ADORA3 (0.62) P2RY1ADORA1PDE4D
SCHEMBL13396649 0.85 ADORA3 (0.62) P2RY1ADORA1PDE4D
SCHEMBL3316834 0.85 ADORA3 (0.62) P2RY1ADORA1PDE4D
SCHEMBL14134565 0.84 ADORA2A (0.45) AHCYHIF1ATMEM97SIGMAR1P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 — — US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 — — US disclosed
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 — — US disclosed
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 — — US disclosed
WO-2008100447-A2 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2008-08-21 — — WO disclosed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 — — 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 (3 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-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors VCAM1, HRH4, LTA4H AHCY 4747/4885HIF1A 2406/4885TMEM97 2278/4885
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 AHCY 2428/4885HIF1A 3736/4885TMEM97 3096/4885
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B AHCY 4872/4885HIF1A 3415/4885TMEM97 1452/4885

“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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