SCHEMBL25420528

SCHEMBL25420528

CCn1ccc(C=C[N+](=O)[O-])n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FBP1 P09467 12/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
EGFR P00533 1/20 0.35
VCP P55072 1/20 0.35
HPGD P15428 2/20 0.35
NTSR1 P30989 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALOX12 P18054 1/20 0.35
CCR6 P51684 1/20 0.35
MCL1 Q07820 1/20 0.35
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
HSP90AA1 P07900 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL25420525 1.00 ALDH1A1 (0.40) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL25607555 0.81 FBP1 (0.38) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL25607689 0.79 FBP1 (0.36) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL25607634 0.79 FBP1 (0.36) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL8638984 0.78 FBP1 (0.42) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL8551772 0.78 FBP1 (0.42) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL25607613 0.74 FBP1 (0.33) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL25610485 0.73 ALDH1A1 (0.34) ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL478779 0.73
SCHEMBL17687127 0.71

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 ALDH1A1 397/4885MAPT 1415/4885LMNA 2431/4885

“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.