SCHEMBL2250222

SCHEMBL2250222

COc1cc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 18/20 1.00
▸ MAPT P10636 16/20 1.00
▸ ALDH1A1 P00352 4/20 0.70
▸ KDM4E B2RXH2 4/20 0.70
▸ SMN1; SMN2 Q16637 3/20 0.70
▸ LMNA P02545 2/20 0.70
▸ HPGD P15428 2/20 0.70
▸ HTT P42858 2/20 0.70
▸ TDP1 Q9NUW8 2/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.70
▸ TP53 P04637 7/20 0.66
▸ HSD17B10 Q99714 1/20 0.66
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ TUBB4A P04350 1/20 0.60
▸ TUBB P07437 1/20 0.60
▸ TUBA3C P0DPH7 1/20 0.60
▸ TUBA1B P68363 1/20 0.60
▸ TUBA4A P68366 1/20 0.60
▸ TUBB4B P68371 1/20 0.60

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
SCHEMBL2250661 0.87 GAA (0.77) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2254234 0.85 GAA (0.74) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2251935 0.85 MAPT (0.74) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2250548 0.85 GAA (0.73) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL12360674 0.85 GAA (0.78) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2252594 0.84 MAPT (0.72) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2249448 0.83 GAA (0.71) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2250631 0.82 MAPT (1.00) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2252198 0.82 MAPT (0.78) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2252820 0.82 GAA (0.69) GAAMAPTALDH1A1KDM4ESMN1; SMN2

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-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
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
WO-2012016133-A2 ROS1 KINASE INHIBITORS FOR THE TREATMENT OF GLIOBLASTOMA AND OTHER P53-DEFICIENT CANCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-02 — — WO 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
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 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 2915/4885ALDH1A1 3205/4885

“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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