SCHEMBL12334298

SCHEMBL12334298

CN1CCc2cc(N3CCn4nc(NC(=O)c5ccc(C(=O)NCC(=O)O)s5)cc43)ccc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ ITGB3 P05106 3/20 0.32
▸ ITGA2B P08514 3/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ AOC3 Q16853 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ USP5 P45974 1/20 0.30

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
SCHEMBL12307852 0.91 GRM5 (0.35) KMT2AGRM5ITGB3ITGA2BAOC3
SCHEMBL12334297 0.90 PTPRC (0.33) POLBAOC3
SCHEMBL12334429 0.89 KCNH2 (0.33) KMT2AGRM5AOC3KCNH2HRH3
SCHEMBL12307906 0.89 GRM5 (0.33) KMT2AGRM5AOC3
SCHEMBL12335660 0.89 MEN1 (0.35) POLBKMT2AAOC3
SCHEMBL12307866 0.88 FLT3 (0.33) GRM5ITGB3ITGA2BAOC3
SCHEMBL12308000 0.87 GRM5 (0.36) KMT2AGRM5ITGB3ITGA2BDPP4
SCHEMBL12307917 0.87 KCNH2 (0.32) GRM5AOC3KCNH2HRH3
SCHEMBL12334737 0.87 KCNH2 (0.36) KMT2AGRM5AOC3KCNH2HRH3
SCHEMBL12307824 0.87 NPC1 (0.38) POLBKMT2AGRM5

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 1 patent. 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

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 POLB 3114/4885KMT2A 2170/4885TDP1 3884/4885

“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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