SCHEMBL12307446

SCHEMBL12307446

CNC(=O)Nc1cc2n(n1)CCN2C(=O)CCC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GCK P35557 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 1/20 0.30
▸ HTR1F P30939 1/20 0.30
▸ TP53 P04637 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
SCHEMBL12307449 0.85 SMN1; SMN2 (0.35) SMN1; SMN2GCKGRM5HTR1DHTR1B
SCHEMBL12307441 0.84 SMN1; SMN2 (0.38) SMN1; SMN2GCKGRM5HTR1DHTR1B
SCHEMBL12307456 0.83 SMN1; SMN2 (0.33) SMN1; SMN2GRM5HTR1DHTR1BHTR1F
SCHEMBL12307452 0.83 NPC1 (0.40) SMN1; SMN2GRM5TP53
SCHEMBL12307397 0.82 TP53 (0.38) SMN1; SMN2GCKHTR1DHTR1BHTR1F
SCHEMBL12307467 0.80 KDM4E (0.40) SMN1; SMN2HTR1DHTR1BHTR1F
SCHEMBL12334300 0.79 GRM5 (0.39) SMN1; SMN2GRM5
SCHEMBL12307448 0.79 GRM5 (0.32) SMN1; SMN2GCKGRM5
SCHEMBL12307454 0.78 TP53 (0.40) GRM5TP53
SCHEMBL12334700 0.78 SMN1; SMN2 (0.39) SMN1; SMN2GCKHTR1DHTR1BHTR1F

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 SMN1; SMN2 3905/4885GCK 1876/4885GRM5 1849/4885

“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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