SCHEMBL2471395

SCHEMBL2471395

CC(=O)c1ccc(-n2cnc(-c3c(-c4ccccc4)noc3C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
PTGS2 P35354 6/20 0.46
PTGS1 P23219 4/20 0.46
BRD4 O60885 2/20 0.44
BRD2 P25440 1/20 0.44
CREBBP Q92793 1/20 0.44
MAPK8 P45983 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NLRP3 Q96P20 1/20 0.41
MT-CO2 P00403 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL2471573 0.92 PTGS2 (0.47) MAPK14PTGS2PTGS1MAPK8HTT
SCHEMBL2472679 0.89 BRD4 (0.45) MAPK14PTGS2PTGS1BRD4BRD2
SCHEMBL2470837 0.89 BRD4 (0.45) MAPK14PTGS2BRD4ALDH1A1MEN1
SCHEMBL2475081 0.89 BRD4 (0.42) MAPK14PTGS2PTGS1BRD4BRD2
SCHEMBL2470769 0.89 GABRA5 (0.43) MAPK14PTGS2PTGS1BRD4BRD2
SCHEMBL2470757 0.87 PTGS2 (0.56) MAPK14PTGS2PTGS1BRD4BRD2
SCHEMBL2470833 0.87 L3MBTL1 (0.46) MAPK14PTGS2PTGS1BRD4BRD2
SCHEMBL2471834 0.86 PTGS2 (0.49) MAPK14PTGS2PTGS1ALDH1A1MAPT
SCHEMBL2477859 0.86 HTT (0.55) MAPK14PTGS2PTGS1BRD4BRD2
SCHEMBL2475025 0.86 MAPK14 (0.50) MAPK14PTGS2PTGS1ALDH1A1MT-CO2

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 MAPK14 4327/4885PTGS2 3762/4885PTGS1 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.