SCHEMBL2249448

SCHEMBL2249448

Cc1cccc2nc(-c3ccc(OCCF)c(O)c3)c(Nc3ccc4c(c3)OCCO4)n12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 18/20 0.71
▸ MAPT P10636 17/20 0.71
▸ KDM4E B2RXH2 6/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ TUBB4A P04350 1/20 0.55
▸ TUBB P07437 1/20 0.55
▸ TUBA3C P0DPH7 1/20 0.55
▸ TUBA1B P68363 1/20 0.55
▸ TUBA4A P68366 1/20 0.55
▸ TUBB4B P68371 1/20 0.55
▸ TUBB3 Q13509 1/20 0.55
▸ TUBB2A Q13885 1/20 0.55
▸ TUBB8 Q3ZCM7 1/20 0.55
▸ TUBA3E Q6PEY2 1/20 0.55
▸ TUBA1A Q71U36 1/20 0.55
▸ TUBA1C Q9BQE3 1/20 0.55
▸ TUBB6 Q9BUF5 1/20 0.55
▸ TUBB2B Q9BVA1 1/20 0.55

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
SCHEMBL2250548 0.90 GAA (0.73) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL14016086 0.84 MAPT (0.58) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL2250222 0.83 GAA (1.00) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL14016304 0.83 GAA (0.57) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL2250099 0.81 MAPT (0.61) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL2250661 0.79 GAA (0.77) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL12360667 0.77 MAPT (0.51) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL2254407 0.77 MAPT (0.67) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL19568997 0.77 GAA (0.89) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL2251728 0.76 MAPT (0.68) GAAMAPTKDM4EALDH1A1MEN1

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
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
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 2915/4885KDM4E 3074/4885

“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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