SCHEMBL25607674

SCHEMBL25607674

CCCc1cccc(/C=C/[N+](=O)[O-])n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 2/20 0.42
▸ TLR2 O60603 2/20 0.42
▸ FBP1 P09467 9/20 0.41
▸ RXRA P19793 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ F2R P25116 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ VCP P55072 2/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL29792007 0.78 TLR4 (0.35) TLR4TLR2FBP1RXRAHSP90AA1
SCHEMBL25607532 0.76 ALDH1A1 (0.51) FBP1RXRAHSP90AA1ALDH1A1LMNA
SCHEMBL7095200 0.75 KCNH2 (0.46) F2RALDH1A1KCNH2NPSR1
SCHEMBL25607686 0.72 FBP1 (0.38) TLR4TLR2FBP1RXRAHSP90AA1
SCHEMBL17708627 0.72 FBP1 (0.47) FBP1RXRAHSP90AA1MAPTVCP
SCHEMBL17708625 0.72 FBP1 (0.47) FBP1RXRAHSP90AA1MAPTVCP
SCHEMBL30320138 0.72 FBP1 (0.49) TLR4TLR2FBP1RXRAHSP90AA1
SCHEMBL25607531 0.72 FBP1 (0.49) TLR4TLR2FBP1RXRAHSP90AA1
SCHEMBL25607561 0.72 KCNH2 (0.46) F2RALDH1A1KCNH2HPGDNPSR1
SCHEMBL2522650 0.70 KCNH2 (0.67) ALDH1A1KCNH2HPGDNPSR1

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-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 — — 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-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 TLR4 1448/4885TLR2 1413/4885FBP1 964/4885

“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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