SCHEMBL4488302

SCHEMBL4488302

COC(=O)c1ccn2cc(-c3c(-c4ccccc4)noc3C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ALDH1A3 P47895 2/20 0.46
MAPK14 Q16539 1/20 0.45
GABRA5 P31644 3/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 3/20 0.43
MT-CO2 P00403 2/20 0.43
PTGS1 P23219 2/20 0.42
HDAC1 Q13547 1/20 0.42
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
KLF5 Q13887 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A2 O94788 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 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
SCHEMBL4499077 0.90 MAPK14 (0.46) ALDH1A1MAPK14MAPK1HPGDSMN1; SMN2
SCHEMBL4495802 0.86 ALDH1A1 (0.58) ALDH1A1ALDH1A3MAPK14GABRA5HPGD
SCHEMBL4510145 0.84 MAPK14 (0.51) ALDH1A1MAPK14GABRA5MAPK1HPGD
SCHEMBL4498333 0.83 ALDH1A1 (0.42) ALDH1A1MAPK14GABRA5MAPK1HPGD
SCHEMBL4500973 0.83 ALDH1A1 (0.46) ALDH1A1MAPK14MAPK1HPGDSMN1; SMN2
SCHEMBL1457815 0.83 ALDH1A1 (0.64) ALDH1A1ALDH1A3GABRA5MAPK1HPGD
SCHEMBL4504173 0.82 GABRA5 (0.48) MAPK14GABRA5NPC1KDM4EMAPT
SCHEMBL4500969 0.82 GABRA5 (0.48) ALDH1A1MAPK14GABRA5MAPK1HPGD
SCHEMBL4500494 0.82 SMN1; SMN2 (0.52) ALDH1A1MAPK1HPGDSMN1; SMN2PTGS2
SCHEMBL4489721 0.82 GABRA5 (0.50) MAPK14GABRA5

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 ALDH1A1 226/4885ALDH1A3 925/4885MAPK14 3887/4885

“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.