SCHEMBL4487535

SCHEMBL4487535

Cc1onc(-c2ccccc2)c1-c1cn2ccc(N)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.49
PTGS1 P23219 3/20 0.49
TLR9 Q9NR96 3/20 0.47
TLR7 Q9NYK1 2/20 0.47
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
KLF5 Q13887 1/20 0.44
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK14 Q16539 1/20 0.43
SCD O00767 1/20 0.43
PLK4 O00444 1/20 0.42
JAK2 O60674 1/20 0.42
RET P07949 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL4500494 0.88 SMN1; SMN2 (0.52) PTGS2PTGS1TLR9KDM4ENPC1
SCHEMBL4488222 0.86 PTGS2 (0.49) PTGS2PTGS1TLR9KDM4ENPC1
SCHEMBL4495297 0.84 KDM4E (0.64) PTGS2PTGS1TLR9KDM4ENPC1
SCHEMBL4490855 0.84 PTGS2 (0.55) PTGS2PTGS1KDM4ENPC1PKM
SCHEMBL4493095 0.83 PTGS2 (0.51) PTGS2PTGS1KDM4ENPC1PKM
SCHEMBL4503190 0.83 PTGS2 (0.46) PTGS2PTGS1TLR9KDM4ENPC1
SCHEMBL4499077 0.83 MAPK14 (0.46) PTGS2PTGS1TLR9KDM4ENPC1
SCHEMBL4488397 0.81 PTGS2 (0.44) PTGS2PTGS1TLR9KDM4ENPC1
SCHEMBL4488302 0.80 ALDH1A1 (0.46) PTGS2PTGS1KDM4ENPC1PKM
SCHEMBL4501838 0.79 NPC1 (0.61) PTGS2PTGS1KDM4ENPC1PKM

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 PTGS2 3313/4885PTGS1 2316/4885TLR9 2765/4885

“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.