SCHEMBL2471775

SCHEMBL2471775

Cc1onc(-c2cccc(F)c2)c1-c1cn(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
CD274 Q9NZQ7 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.47
HPGDS O60760 2/20 0.46
GABRA5 P31644 1/20 0.45
POLB P06746 1/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL2472834 0.96 L3MBTL1 (0.52) ALDH1A1TSHRCD274L3MBTL1GABRA5
SCHEMBL2471716 0.88 GABRA5 (0.45) GABRA5
SCHEMBL2470919 0.87 HTT (0.51) ALDH1A1TSHRCD274L3MBTL1HPGD
SCHEMBL2470562 0.84 GABRA5 (0.59) GABRA5
SCHEMBL2473668 0.84 GABRA5 (0.44) GABRA5
SCHEMBL2472284 0.84 GABRA5 (0.41) GABRA5
SCHEMBL4971834 0.84 CD274 (0.50) ALDH1A1TSHRCD274L3MBTL1HPGD
SCHEMBL2472945 0.83 GABRA5 (0.56) HPGDSGABRA5
SCHEMBL2471410 0.81 GABRA5 (0.53) HPGDSGABRA5
SCHEMBL2471881 0.81 GABRA5 (0.53) HPGDSGABRA5

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 ALDH1A1 252/4885TSHR 410/4885CD274 1910/4885

“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.