SCHEMBL12307471

SCHEMBL12307471

CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.37
▸ GCK P35557 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RXRA P19793 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HCAR3 P49019 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ BCL2 P10415 1/20 0.31
▸ BECN1 Q14457 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NAMPT P43490 1/20 0.31

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
SCHEMBL12307391 0.92 GRM5 (0.45) GRM5GCKSMN1; SMN2ALDH1A1TP53
SCHEMBL12307457 0.91 TP53 (0.36) GRM5SMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL12307478 0.90 GRM5 (0.40) GRM5GCKALDH1A1RORC
SCHEMBL12307461 0.89 GRM5 (0.44) GRM5SMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL12307447 0.88 ALDH1A1 (0.38) GRM5ALDH1A1LMNANAMPT
SCHEMBL12307473 0.87 PLAU (0.42) SMN1; SMN2ALDH1A1TP53
SCHEMBL12307459 0.84 GRM5 (0.37) GRM5GCKSMN1; SMN2ALDH1A1LMNA
SCHEMBL12307522 0.83 ALDH1A1 (0.38) GCKSMN1; SMN2ALDH1A1TP53
SCHEMBL12307462 0.83 GRM5 (0.38) GRM5GCK
SCHEMBL12307444 0.83 ALDH1A1 (0.41) GRM5ALDH1A1

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

“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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