SCHEMBL7146723

SCHEMBL7146723

Nc1nc(NCc2ccccc2)nc(-c2ccco2)c1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 6/20 0.56
MAPK1 P28482 1/20 0.56
HPGD P15428 1/20 0.56
ADORA2A P29274 2/20 0.53
ADORA1 P30542 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2B P29275 1/20 0.53
KMT2A Q03164 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
BLM P54132 2/20 0.53
MEN1 O00255 1/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
CYP1A2 P05177 1/20 0.51
PKM P14618 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL7149785 0.83 ADORA2A (0.66) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL7146832 0.82 ADORA2A (0.54) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL7146154 0.81 ADORA2A (0.59) POLBHPGDADORA2AADORA1ADORA3
SCHEMBL7147939 0.80 ADORA2A (0.58) MAPTPOLBHPGDADORA2AADORA1
SCHEMBL7147611 0.80 ADORA2A (0.58) MAPTPOLBHPGDADORA2AADORA1
SCHEMBL7145887 0.80 ADORA2A (0.58) POLBHPGDADORA2AADORA1ADORA3
SCHEMBL7145971 0.80 ADORA2A (0.58) POLBHPGDADORA2AADORA1ADORA3
SCHEMBL4052390 0.78 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7142633 0.75 ADORA2A (0.63) MAPTPOLBLMNAHPGDADORA2A
Ammonia Solution, Strong SCHEMBL7146724 0.74 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2B

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-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 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-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 MAPT 1878/4885POLB 1978/4885SMN1; SMN2 606/4885

“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.