SCHEMBL12307396

SCHEMBL12307396

CNC(=O)Nc1cc2n(n1)CCN2C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 3/20 0.44
▸ GRM5 P41594 8/20 0.39
▸ GAA P10253 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ LMNA P02545 1/20 0.34

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
SCHEMBL12307481 0.84 TP53 (0.46) GCKLMNA
SCHEMBL12307391 0.82 GRM5 (0.45) GCKGRM5POLB
SCHEMBL12307395 0.80 GCK (0.35) GCK
SCHEMBL12307459 0.80 GRM5 (0.37) GCKGRM5GAANPSR1LMNA
SCHEMBL12307397 0.79 TP53 (0.38) GCKPOLBLMNA
SCHEMBL12307441 0.79 SMN1; SMN2 (0.38) GCKGRM5
SCHEMBL12307455 0.78 MAPT (0.46) GRM5LMNA
SCHEMBL12307452 0.78 NPC1 (0.40) GRM5POLBLMNA
SCHEMBL12307449 0.77 SMN1; SMN2 (0.35) GCKGRM5
SCHEMBL12307398 0.77 GCK (0.40) GCKGRM5

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 GCK 1876/4885GRM5 1849/4885GAA 2338/4885

“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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