SCHEMBL21311162

SCHEMBL21311162

[N-]=[N+]=NCCOCn1cnc2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.57
▸ FGFR1 P11362 1/20 0.53
▸ SLC22A6 Q4U2R8 1/20 0.53
▸ NT5E P21589 1/20 0.53
▸ ADORA2A P29274 5/20 0.50
▸ ADORA1 P30542 3/20 0.50
▸ PI4KA P42356 2/20 0.50
▸ PI4K2B Q8TCG2 2/20 0.50
▸ PI4K2A Q9BTU6 2/20 0.50
▸ PI4KB Q9UBF8 2/20 0.50
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ NSD3 Q9BZ95 5/20 0.45
▸ NSD2 O96028 4/20 0.45

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
SCHEMBL14822332 0.82 ADORA2A (0.61) FGFR1SLC22A6ADORA2AADORA1PI4KA
SCHEMBL11247503 0.81 ENPP1 (0.60) ENPP1FGFR1SLC22A6NT5EADORA2A
SCHEMBL15214233 0.80 ADORA2A (0.63) FGFR1SLC22A6ADORA2AADORA1PI4KA
SCHEMBL2293269 0.80 ADORA2A (0.66) ENPP1FGFR1SLC22A6NT5EADORA2A
SCHEMBL10566016 0.80 ENPP1 (0.59) ENPP1FGFR1SLC22A6NT5EADORA2A
SCHEMBL20096689 0.80 ADORA2A (0.66) ENPP1FGFR1SLC22A6NT5EADORA2A
SCHEMBL25306268 0.79 ENPP1 (0.61) ENPP1FGFR1SLC22A6NT5EADORA2A
SCHEMBL29385353 0.77 ADORA2A (0.57) ENPP1FGFR1SLC22A6NT5EADORA2A
SCHEMBL18786971 0.77 ADORA2A (0.57) ENPP1FGFR1SLC22A6NT5EADORA2A
SCHEMBL8561474 0.77 ENPP1 (0.73) ENPP1FGFR1SLC22A6NT5EADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 — — 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 ENPP1 980/4885FGFR1 4576/4885SLC22A6 4494/4885

“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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