SCHEMBL2473727

SCHEMBL2473727

Cc1onc(-c2ccccc2)c1-c1cn(-c2ccccc2C(=O)NC2CCCC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
MAPK8 P45983 1/20 0.48
GABRA5 P31644 10/20 0.47
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
S1PR1 P21453 1/20 0.43

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
SCHEMBL2469066 0.98 MAPK14 (0.48) MAPK14MAPK8GABRA5GAAKMT2A
SCHEMBL2473837 0.93 GABRA5 (0.51) MAPK14MAPK8GABRA5ALDH1A1SMN1; SMN2
SCHEMBL2469011 0.86 GABRA5 (0.53) MAPK14MAPK8GABRA5KMT2A
SCHEMBL2473927 0.85 NPSR1 (0.50) MAPK14MAPK8GABRA5ALDH1A1NPSR1
SCHEMBL2472877 0.84 GABRA5 (0.49) MAPK14MAPK8GABRA5NPC1RAB9A
SCHEMBL2472211 0.84 GABRA5 (0.53) MAPK14MAPK8GABRA5KMT2A
SCHEMBL2472233 0.84 PTGS2 (0.47) MAPK14MAPK8GABRA5GAAKMT2A
SCHEMBL2469192 0.82 GABRA5 (0.49) MAPK14MAPK8GABRA5
SCHEMBL2474294 0.82 MAPK14 (0.48) MAPK14MAPK8GABRA5GAAKMT2A
SCHEMBL2472225 0.82 GABRA5 (0.51) MAPK14MAPK8GABRA5KMT2AMEN1

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 4327/4885MAPK8 3967/4885GABRA5 1/4885

“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.