SCHEMBL2253692

SCHEMBL2253692

Cc1cccc(C)c1-c1nc2ncccn2c1Nc1ccc2c(c1)OCCO2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 18/20 0.75
▸ MAPT P10636 17/20 0.75
▸ TDP1 Q9NUW8 2/20 0.75
▸ MAPK1 P28482 5/20 0.72
▸ ALDH1A1 P00352 5/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ TSHR P16473 3/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ ALOX15 P16050 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ TP53 P04637 2/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ POLB P06746 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ HPGD P15428 1/20 0.53

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
SCHEMBL2258181 0.87 GAA (0.73) GAAMAPTTDP1MAPK1ALDH1A1
SCHEMBL10016524 0.84 GAA (1.00) GAAMAPTTDP1MAPK1ALDH1A1
SCHEMBL2250466 0.84 GAA (0.69) GAAMAPTTDP1MAPK1ALDH1A1
SCHEMBL2254340 0.83 GAA (0.71) GAAMAPTTDP1MAPK1ALDH1A1
SCHEMBL2257031 0.83 GAA (0.71) GAAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2256809 0.83 GAA (0.68) GAAMAPTTDP1MAPK1ALDH1A1
SCHEMBL2256403 0.81 GAA (0.73) GAAMAPTTDP1MAPK1ALDH1A1
SCHEMBL2254064 0.78 MAPT (0.72) GAAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL2250445 0.78 GAA (0.71) GAAMAPTTDP1MAPK1ALDH1A1
SCHEMBL2248379 0.78 GAA (0.76) GAAMAPTTDP1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 — — US claimed
EP-2155747-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS Acadia Pharmaceuticals Inc. (US) 2010-02-24 — — EP claimed
WO-2008141249-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-11-20 — — WO claimed
EP-2155747-B1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LTD (GB) 2012-10-24 — — EP disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 — — US disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 — — US disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 — — 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-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS CNR1, CNR2, GPR18 GAA 4087/4885MAPT 2915/4885TDP1 3513/4885

“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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