SCHEMBL12307495

SCHEMBL12307495

CNC(=O)Nc1cc2n(n1)CCN(C(=O)c1cccc(S(C)(=O)=O)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 18/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL12307496 0.86 GRM5 (0.47) GRM5HDAC6
SCHEMBL12307409 0.85 GRM5 (0.60) GRM5HDAC6
SCHEMBL12307494 0.83 GRM5 (0.58) GRM5HDAC6
SCHEMBL12307490 0.81 GRM5 (0.56) GRM5HDAC6
SCHEMBL12307491 0.78 HDAC6 (0.64) GRM5HDAC6
SCHEMBL12532922 0.76 GRM5 (0.44) GRM5HDAC6
SCHEMBL12307498 0.74 HDAC6 (0.48) GRM5HDAC6
SCHEMBL12307611 0.74 DRD2 (0.37) —
SCHEMBL12307493 0.74 HTT (0.49) GRM5HDAC6
SCHEMBL12307414 0.74 KDM4E (0.45) GRM5

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 3 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
EP-2327704-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY Shionogi&Co., Ltd. (JP) 2011-06-01 — — EP 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 GRM5 1849/4885IRAK4 105/4885HDAC6 1429/4885

“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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