SCHEMBL12307577

SCHEMBL12307577

O=C(Nc1cc2n(n1)CCN2C(=O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.48
▸ PTGER1 P34995 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NAAA Q02083 2/20 0.40
▸ PLAU P00749 1/20 0.39
▸ FSHR P23945 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
SCHEMBL171623 0.83 PTGER1 (0.43) PTGER1POLBSMN1; SMN2MGLLNPC1
SCHEMBL12307390 0.83 GRM5 (0.51) GRM5ALDH1A1MAPTNAAA
SCHEMBL12307391 0.78 GRM5 (0.45) GRM5POLBSMN1; SMN2RAB9AALDH1A1
SCHEMBL12307615 0.78 PTGER1 (0.48) GRM5PTGER1POLBSMN1; SMN2MGLL
SCHEMBL22102666 0.78 GRM5 (0.45) GRM5PTGER1SMN1; SMN2NPC1RAB9A
SCHEMBL12307703 0.76 ADORA2A (0.46) GRM5PTGER1SMN1; SMN2MGLLNPC1
SCHEMBL29777659 0.75 POLB (0.46) PTGER1POLBSMN1; SMN2MGLLNPC1
SCHEMBL12532906 0.74 POLB (0.48) PTGER1POLBSMN1; SMN2MGLLNPC1
SCHEMBL29777631 0.74 POLB (0.45) PTGER1POLBSMN1; SMN2MGLLNPC1
SCHEMBL12307717 0.73 POLB (0.43) PTGER1POLBSMN1; SMN2ALDH1A1TP53

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 1849/4885PTGER1 4063/4885POLB 3114/4885

“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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