SCHEMBL20675953

SCHEMBL20675953

C/C(N)=N\Cc1ccccc1

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 6/20 0.96
▸ NOS1 P29475 5/20 0.63
▸ NOS3 P29474 5/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ NFKB1 P19838 1/20 0.63
▸ GRIN2B Q13224 9/20 0.61
▸ GRIN1 Q05586 6/20 0.61
▸ GRIN2D O15399 2/20 0.55
▸ GRIN3B O60391 2/20 0.55
▸ GRIN2A Q12879 2/20 0.55
▸ GRIN2C Q14957 2/20 0.55
▸ GRIN3A Q8TCU5 2/20 0.55
▸ SIGMAR1 Q99720 2/20 0.55

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
SCHEMBL14291059 1.00 NOS2 (0.96) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4737504 0.98 NOS2 (0.92) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
Butylamine SCHEMBL9579993 0.86 NOS2 (0.71) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL104888 0.81 NOS2 (0.65) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL22068858 0.81 NOS2 (0.65) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL45769 0.81 GRIN2B (0.68) NOS2SMN1; SMN2GRIN2BGRIN1GRIN2D
SCHEMBL22068857 0.81 NOS2 (0.65) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL7206541 0.79 GRIN2B (0.65) NOS2SMN1; SMN2GRIN2BGRIN1GRIN2D
Hydrochloric Acid SCHEMBL4629266 0.79 GRIN2B (0.72) NOS2SMN1; SMN2GRIN2BGRIN1GRIN2D
SCHEMBL1796013 0.78 NOS2 (0.62) NOS2GRIN2BGRIN1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY INC (US) 2022-07-14 — — US disclosed
US-10793561-B2 1,8-naphthyridinone compounds and uses thereof NUVATION BIO INC. (US) 2020-10-06 — — US disclosed
US-20190023702-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 — — 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-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 NOS2 3052/4885NOS1 2413/4885NOS3 3162/4885
US-10793561-B2 1,8-naphthyridinone compounds and uses thereof NME1, ADORA2A, GPR68 NOS2 3052/4885NOS1 2413/4885NOS3 3162/4885
US-20190023702-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 NOS2 3052/4885NOS1 2413/4885NOS3 3162/4885

“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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