SCHEMBL12307459

SCHEMBL12307459

CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1ccccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ RECQL P46063 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CPB1 P15086 1/20 0.33

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
SCHEMBL12307442 0.88 GRM5 (0.39) GRM5ALDH1A1SMN1; SMN2HTTGCK
SCHEMBL12307391 0.87 GRM5 (0.45) GRM5ALDH1A1ALOX15SMN1; SMN2MAPT
SCHEMBL12307479 0.86 PLK1 (0.41) ALDH1A1GAAMAPTHTTKDM4E
SCHEMBL12307453 0.86 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2GAATSHR
SCHEMBL12307550 0.84 GCK (0.36) ALDH1A1SMN1; SMN2GAAMAPTTSHR
SCHEMBL12307471 0.84 GRM5 (0.37) GRM5ALDH1A1SMN1; SMN2GCKLMNA
SCHEMBL12307478 0.83 GRM5 (0.40) GRM5ALDH1A1GAAGCKKDM4E
SCHEMBL12307481 0.81 TP53 (0.46) SMN1; SMN2GCKKDM4ELMNA
SCHEMBL12307396 0.80 GCK (0.44) GRM5GAAGCKLMNANPSR1
SCHEMBL12307447 0.79 ALDH1A1 (0.38) GRM5ALDH1A1GAATSHRKDM4E

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 1849/4885ALDH1A1 3559/4885ALOX15 3255/4885

“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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