SCHEMBL12307799

SCHEMBL12307799

CN1CCc2cc(N3CCn4nc(NC(=O)C5CCN(C(=O)OC(C)(C)C)C5)cc43)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ GPR119 Q8TDV5 4/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ PARP1 P09874 4/20 0.38
▸ PARP2 Q9UGN5 4/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ USP30 Q70CQ3 4/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ STS P08842 1/20 0.35
▸ NR1H2 P55055 1/20 0.34

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
SCHEMBL12307800 0.90 GPR119 (0.40) GPR119USP30
SCHEMBL12307789 0.85 ALDH1A1 (0.41) ABL1
SCHEMBL12307809 0.82 GSK3B (0.37) —
SCHEMBL12307969 0.82 SRD5A1 (0.35) —
SCHEMBL12307980 0.80 SLC5A1 (0.36) ABL1
SCHEMBL12307979 0.80 SLC5A1 (0.36) ABL1
SCHEMBL12334316 0.79 — —
SCHEMBL12307713 0.79 GRM5 (0.38) NPC1RAB9AABL1MAPK8
SCHEMBL12307833 0.78 ALDH1A1 (0.41) NPC1
SCHEMBL12307930 0.78 STAT3 (0.35) NPC1RAB9A

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 NPC1 1669/4885RAB9A 929/4885PTPN2 68/4885

“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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