SCHEMBL25213136

SCHEMBL25213136

O=C(On1ccc(C=C[N+](=O)[O-])n1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 2/20 0.33
▸ TLR2 O60603 2/20 0.33
▸ MAPT P10636 5/20 0.33
▸ FBP1 P09467 6/20 0.33
▸ EGFR P00533 2/20 0.32
▸ NLRP3 Q96P20 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ L3MBTL1 Q9Y468 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ RECQL P46063 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ POLB P06746 2/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ ABL2 P42684 1/20 0.30
▸ ELANE P08246 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL28994121 0.71 MAPT (0.36) MAPTFBP1EGFRNLRP3ALDH1A1
SCHEMBL25607652 0.71 MAPT (0.36) MAPTFBP1EGFRNLRP3ALDH1A1
SCHEMBL28994099 0.69 L3MBTL1 (0.39) TLR4TLR2MAPTFBP1EGFR
SCHEMBL28994106 0.69 MAPT (0.33) MAPTFBP1NLRP3ALDH1A1MAPK1
SCHEMBL25607643 0.69 MAPT (0.33) MAPTFBP1NLRP3ALDH1A1MAPK1
SCHEMBL28994477 0.68 FBP1 (0.35) MAPTFBP1EGFRL3MBTL1ALDH1A1
SCHEMBL25607598 0.68 MAPT (0.37) MAPTFBP1ALDH1A1RECQLKMT2A
SCHEMBL8638984 0.67 FBP1 (0.42) MAPTFBP1EGFRHSP90AA1ALDH1A1
SCHEMBL8551772 0.67 FBP1 (0.42) MAPTFBP1EGFRHSP90AA1ALDH1A1
SCHEMBL25607648 0.65 BRAF (0.32) MAPTFBP1L3MBTL1ALDH1A1RECQL

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 1413/4885MAPT 1415/4885

“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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