SCHEMBL2471855

SCHEMBL2471855

Cc1onc(-c2ccc(F)cc2)c1-c1cn(-c2cc(Cl)cc(Cl)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
BACE1 P56817 1/20 0.45
PTGS1 P23219 2/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
MAPK10 P53779 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
NR3C2 P08235 1/20 0.40
MAPK1 P28482 1/20 0.39
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
KDM2B Q8NHM5 1/20 0.37

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
SCHEMBL2469219 0.91 PTGS2 (0.46) PTGS2BACE1PTGS1GPBAR1POLB
SCHEMBL2473287 0.91 PTGS2 (0.46) PTGS2PTGS1GPBAR1POLBTDP1
SCHEMBL2473712 0.90 PTGS2 (0.48) PTGS2PTGS1GPBAR1POLBTDP1
SCHEMBL2471867 0.87 PTGS2 (0.44) PTGS2BACE1PTGS1GPBAR1POLB
SCHEMBL2473840 0.86 MAPK14 (0.45) PTGS2PTGS1POLBTDP1L3MBTL1
SCHEMBL2473617 0.85 NPC1 (0.46) PTGS2PTGS1POLBTDP1L3MBTL1
SCHEMBL2468994 0.85 PTGS2 (0.44) PTGS2PTGS1POLBTDP1L3MBTL1
SCHEMBL2472121 0.85 PTGS2 (0.50) PTGS2PTGS1TDP1L3MBTL1MAPT
SCHEMBL2471384 0.84 PTGS2 (0.43) PTGS2PTGS1POLBTDP1L3MBTL1
SCHEMBL2469015 0.84 GABRA5 (0.47) PTGS2GPBAR1MAPK10MAPK11MAPK14

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
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP claimed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP claimed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO claimed
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US disclosed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 PTGS2 3762/4885BACE1 113/4885PTGS1 2693/4885

“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.