SCHEMBL21788698

SCHEMBL21788698

Nc1ncnc2c1ncn2CCCN1CCCCCCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.63
▸ TLR7 Q9NYK1 5/20 0.62
▸ ADORA1 P30542 3/20 0.58
▸ ADORA2B P29275 1/20 0.58
▸ ADCY5 O95622 3/20 0.54
▸ TLR9 Q9NR96 1/20 0.54
▸ PI4KA P42356 2/20 0.54
▸ PI4K2B Q8TCG2 2/20 0.54
▸ PI4K2A Q9BTU6 2/20 0.54
▸ PI4KB Q9UBF8 2/20 0.54
▸ SIGMAR1 Q99720 1/20 0.51
▸ FGFR1 P11362 1/20 0.50
▸ SLC22A6 Q4U2R8 1/20 0.50

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
SCHEMBL30544745 0.99 ADORA2A (0.65) ADORA2ATLR7ADORA1ADORA2BADCY5
SCHEMBL11350024 0.85 ADORA2A (0.59) ADORA2ATLR7ADORA1ADORA2BADCY5
SCHEMBL11222112 0.80 ADORA2A (0.80) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL26981114 0.79 ADORA2A (0.74) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL1532103 0.79 ADORA2A (0.74) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL67131 0.79 ADORA2A (0.74) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL2638945 0.79 ADORA2A (0.74) ADORA2AADORA1ADORA2BADCY5PI4KA
SCHEMBL3957869 0.79 ADORA2A (0.60) ADORA2ATLR7ADORA1ADORA2BADCY5
SCHEMBL16751826 0.79 ADORA2A (0.54) ADORA2ATLR7ADORA1ADORA2BADCY5
SCHEMBL1074972 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA2BADCY5PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 — — US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 — — 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 (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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA ADORA2A 3376/4885TLR7 4162/4885ADORA1 4502/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA ADORA2A 3376/4885TLR7 4162/4885ADORA1 4502/4885

“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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