SCHEMBL12307550

SCHEMBL12307550

CNC(=O)Nc1cc2n(n1)CCN2c1ccccc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.36
▸ MYC P01106 4/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ GRIK1 P39086 1/20 0.32
▸ BCL2 P10415 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
SCHEMBL12307528 0.85 RBP4 (0.39) GCKKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL12307398 0.84 GCK (0.40) GCKKMT2AMAPTHTTTSHR
SCHEMBL12307459 0.84 GRM5 (0.37) GCKKMT2AMAPTHTTTSHR
SCHEMBL12307529 0.83 GAA (0.39) GCKKMT2AMAPTGAAMEN1
SCHEMBL12307609 0.79 TTR (0.39) GCK
SCHEMBL12307511 0.79 ALDH1A1 (0.43) MYCNR4A1KMT2AMAPTTSHR
SCHEMBL12307509 0.78 GRM5 (0.41) GCKKMT2AMAPTMEN1ALDH1A1
SCHEMBL12307584 0.78 P2RY14 (0.35) GCKALDH1A1PIK3R1PIK3CAMTOR
SCHEMBL12307596 0.77 MAPK13 (0.38) GCKKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL12307642 0.76 PTGER1 (0.34) GCKSMN1; SMN2

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 GCK 1876/4885MYC 402/4885NR4A1 718/4885

“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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