SCHEMBL2470837

SCHEMBL2470837

CC(=O)c1ccc(-n2cnc(-c3c(-c4ccc(F)cc4)noc3C)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
PTGS2 P35354 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GABRA5 P31644 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
MAPK14 Q16539 4/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK11 Q15759 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38

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
SCHEMBL2469015 0.92 GABRA5 (0.47) PTGS2GABRA5KDM4EMEN1ALDH1A1
SCHEMBL2473712 0.90 PTGS2 (0.48) PTGS2MAPK14MAPK13MAPK12MAPK10
SCHEMBL2470875 0.90 BRD4 (0.44) BRD4GABRA5KDM4EMEN1KMT2A
SCHEMBL2472679 0.90 BRD4 (0.45) BRD4PTGS2RXFP1KDM4EMEN1
SCHEMBL2471395 0.89 MAPK14 (0.48) BRD4PTGS2MEN1ALDH1A1KMT2A
SCHEMBL2470769 0.89 GABRA5 (0.43) BRD4PTGS2GABRA5MAPK14GPBAR1
SCHEMBL2471768 0.89 GABRA5 (0.50) BRD4PTGS2GABRA5PIK3CAMTOR
SCHEMBL2469058 0.87 RXFP1 (0.42) PTGS2RXFP1GABRA5KDM4EMEN1
SCHEMBL2319376 0.87 PTGS2 (0.46) PTGS2RXFP1GABRA5KDM4EMEN1
SCHEMBL2470860 0.87 RXFP1 (0.42) PTGS2RXFP1GABRA5KDM4EMEN1

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-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 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
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 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

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 BRD4 677/4885PTGS2 3762/4885RXFP1 800/4885

“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.