SCHEMBL6429020

SCHEMBL6429020

N/C=C/Cc1ncccn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.33
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AB1 P08238 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 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
SCHEMBL1257944 1.00 HSP90AA1 (0.33) HSP90AA1MEN1LMNAHSP90AB1MAPT
SCHEMBL23037268 0.80 HSP90AA1 (0.33) HSP90AA1MEN1LMNAHSP90AB1MAPT
SCHEMBL23037266 0.80 HSP90AA1 (0.33) HSP90AA1MEN1LMNAHSP90AB1MAPT
SCHEMBL11167161 0.76 ALDH1A1 (0.37) HSP90AA1HSP90AB1MAPTHTT
SCHEMBL10746552 0.75
SCHEMBL6159661 0.75
SCHEMBL1247038 0.75
SCHEMBL8703080 0.73 ALDH1A1 (0.38)
SCHEMBL248607 0.73 HRH1 (0.50) LMNAMAPT
SCHEMBL7176290 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6888001-B2 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2005-05-03 US disclosed
EP-1107965-B1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION ORTHO MCNEIL PHARM INC (US) 2004-08-11 EP disclosed
US-20030207858-A1 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2003-11-06 US disclosed
US-6562847-B1 Useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-13 US disclosed
EP-1107965-A1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION Ortho-McNeil Pharmaceutical, Inc. (US) 2001-06-20 EP disclosed
WO-2000010997-A1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-03-02 WO 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-20030207858-A1 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. CHRM1, CHRM5, CHRM2 HSP90AA1 4080/4885MEN1 3585/4885LMNA 4436/4885

“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.