SCHEMBL12307457

SCHEMBL12307457

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.36
▸ HTT P42858 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GRM5 P41594 3/20 0.35
▸ ADORA3 P0DMS8 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ RAB9A P51151 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL12307471 0.91 GRM5 (0.37) TP53ALDH1A1GRM5LMNASMN1; SMN2
SCHEMBL12307473 0.90 PLAU (0.42) TP53HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL12307461 0.89 GRM5 (0.44) TP53ALDH1A1HPGDGRM5LMNA
SCHEMBL12307391 0.89 GRM5 (0.45) TP53ALDH1A1HPGDGRM5SMN1; SMN2
SCHEMBL12307447 0.88 ALDH1A1 (0.38) ALDH1A1GRM5LMNANPC1MEN1
SCHEMBL12307441 0.83 SMN1; SMN2 (0.38) TP53ALDH1A1GRM5SMN1; SMN2
SCHEMBL12307462 0.83 GRM5 (0.38) GRM5
SCHEMBL12307478 0.83 GRM5 (0.40) ALDH1A1HPGDGRM5RAB9ANPC1
SCHEMBL12307444 0.83 ALDH1A1 (0.41) ALDH1A1GRM5
SCHEMBL12335625 0.83 HPGD (0.42) TP53HTTHPGDGRM5RAB9A

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 TP53 342/4885HTT 3749/4885ALDH1A1 3559/4885

“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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