SCHEMBL4500969

SCHEMBL4500969

Cc1onc(-c2ccccc2)c1-c1cn2ccc(C(=O)NC3CCC3)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 12/20 0.48
MAPK14 Q16539 2/20 0.47
MAPK8 P45983 1/20 0.47
HPGDS O60760 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4504173 0.98 GABRA5 (0.48) GABRA5MAPK14MAPK8HPGDSNPC1
SCHEMBL4510145 0.96 MAPK14 (0.51) GABRA5MAPK14MAPK8HPGDSNPC1
SCHEMBL4490900 0.88 HPGDS (0.58) GABRA5MAPK14MAPK8HPGDS
SCHEMBL4499077 0.86 MAPK14 (0.46) MAPK14MAPK8NPC1RAB9AALDH1A1
SCHEMBL4492709 0.86 HPGDS (0.58) GABRA5MAPK14MAPK8HPGDS
SCHEMBL4489721 0.85 GABRA5 (0.50) GABRA5MAPK14MAPK8
SCHEMBL4493863 0.84 HPGDS (0.62) GABRA5MAPK14MAPK8HPGDS
SCHEMBL4500973 0.83 ALDH1A1 (0.46) MAPK14NPC1RAB9AALDH1A1HPGD
SCHEMBL4488302 0.82 ALDH1A1 (0.46) GABRA5MAPK14NPC1RAB9AALDH1A1
SCHEMBL4498333 0.81 ALDH1A1 (0.42) GABRA5MAPK14MAPK8NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585874-B2 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-08 US claimed
EP-1979350-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE VIA GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
US-20070179178-A1 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 US claimed
WO-2007082806-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER’S DISEASE VIA GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
US-7585874-B2 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-08 US disclosed
EP-1979350-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE VIA GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
US-20070179178-A1 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
WO-2007082806-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER’S DISEASE VIA GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 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-20070179178-A1 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives GABRA5, GABRA4, GABRA1 GABRA5 1/4885MAPK14 3887/4885MAPK8 3536/4885

“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.