SCHEMBL2267256

SCHEMBL2267256

c1cncc(O[C@@H]2CCNC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 1.00
CHRNA4 P43681 2/20 1.00
PRKCZ Q05513 1/20 0.61
ROCK1 Q13464 2/20 0.56
CHUK O15111 1/20 0.56
DYRK3 O43781 1/20 0.56
ROCK2 O75116 1/20 0.56
MAP4K4 O95819 1/20 0.56
PIM1 P11309 1/20 0.56
PRKACA P17612 1/20 0.56
RPS6KB1 P23443 1/20 0.56
AKT1 P31749 1/20 0.56
CLK2 P49760 1/20 0.56
PRKX P51817 1/20 0.56
PRKG2 Q13237 1/20 0.56
DYRK1A Q13627 1/20 0.56
PRKG1 Q13976 1/20 0.56
PKN2 Q16513 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
MKNK1 Q9BUB5 1/20 0.51

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
SCHEMBL6307787 1.00 CHRNB2 (1.00) CHRNB2CHRNA4PRKCZROCK1CHUK
SCHEMBL30775431 1.00 CHRNB2 (1.00) CHRNB2CHRNA4PRKCZROCK1CHUK
SCHEMBL6306148 1.00 CHRNB2 (1.00) CHRNB2CHRNA4PRKCZROCK1CHUK
Hydrochloric Acid SCHEMBL7243967 0.98 CHRNB2 (0.97) CHRNB2CHRNA4PRKCZROCK1CHUK
Hydrochloric Acid SCHEMBL1768898 0.98 CHRNB2 (0.97) CHRNB2CHRNA4PRKCZROCK1CHUK
Hydrochloric Acid SCHEMBL7243964 0.98 CHRNB2 (0.97) CHRNB2CHRNA4PRKCZROCK1CHUK
Hydrochloric Acid SCHEMBL7470431 0.98 CHRNB2 (0.97) CHRNB2CHRNA4PRKCZROCK1CHUK
SCHEMBL6303813 0.91 CHRNB2 (1.00) CHRNB2CHRNA4PRKCZROCK1CHUK
SCHEMBL6307805 0.91 CHRNB2 (1.00) CHRNB2CHRNA4PRKCZROCK1CHUK
SCHEMBL2241148 0.90 CHRNB2 (0.82) CHRNB2CHRNA4PRKCZROCK1CHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
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 (2 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 CHRNB2 13/4885CHRNA4 14/4885PRKCZ 1910/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 CHRNB2 1324/4885CHRNA4 1298/4885PRKCZ 2772/4885

“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.