SCHEMBL12307476

SCHEMBL12307476

CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.35
▸ GRM5 P41594 3/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ SLC7A5 Q01650 1/20 0.33
▸ GCK P35557 4/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ CASR P41180 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RBP4 P02753 1/20 0.31
▸ L3MBTL3 Q96JM7 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12307478 0.86 GRM5 (0.40) GRM5EPHX2GCKKDM4EALDH1A1
SCHEMBL12307462 0.83 GRM5 (0.38) GRM5GCKKDM4E
SCHEMBL12307444 0.83 ALDH1A1 (0.41) GRM5KDM4EALDH1A1
SCHEMBL12335625 0.83 HPGD (0.42) GRM5L3MBTL1
SCHEMBL12307391 0.83 GRM5 (0.45) GRM5GCKALDH1A1MAPTSMN1; SMN2
SCHEMBL12307455 0.83 MAPT (0.46) GRM5ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL12307395 0.81 GCK (0.35) GCKALDH1A1SMN1; SMN2
SCHEMBL12307458 0.80 GRM5 (0.41) GRM5HTR1ASMN1; SMN2
SCHEMBL12307445 0.79 STAT3 (0.45) STAT3ALDH1A1
SCHEMBL12307471 0.78 GRM5 (0.37) GRM5GCKALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 — — US disclosed
US-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 — — 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-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY PIK3R5, PIK3R4, PIK3R1 STAT3 8/4885GRM5 1849/4885EPHX2 3519/4885

“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.

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