SCHEMBL30452325

SCHEMBL30452325

O=C1NCc2cc(CO)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ GRM5 P41594 4/20 0.47
▸ GSK3B P49841 3/20 0.45
▸ CLK4 Q9HAZ1 2/20 0.45
▸ NTRK1 P04629 2/20 0.45
▸ FLT3 P36888 2/20 0.45
▸ PARP11 Q9NR21 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ PRF1 P14222 2/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.42
▸ MKNK1 Q9BUB5 3/20 0.41
▸ PRKCI P41743 1/20 0.40
▸ NTRK2 Q16620 2/20 0.40
▸ TYRO3 Q06418 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ MET P08581 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
SCHEMBL4597521 1.00 CA12 (0.48) CA12CA9GRM5GSK3BCLK4
SCHEMBL27085978 0.86 NTRK2 (0.51) CA12CA9GRM5GSK3BCLK4
SCHEMBL25947316 0.83 PARP11 (0.66) GRM5PARP11
SCHEMBL30073094 0.82 CA12 (0.48) CA12CA9GRM5GSK3BCLK4
SCHEMBL12193961 0.82 CA12 (0.48) CA12CA9GRM5GSK3BCLK4
SCHEMBL7901539 0.82 CLK4 (0.49) CA12CA9GRM5GSK3BCLK4
SCHEMBL12194628 0.78 DAPK3 (0.46) CA12CA9GRM5GSK3BCLK4
SCHEMBL27745746 0.78 GRM5 (0.47) CA12CA9GRM5GSK3BCLK4
SCHEMBL28178421 0.77 PARP11 (0.55) CA12CA9GRM5CLK4PARP11
SCHEMBL28007031 0.76 CLK4 (0.43) CA12CA9GRM5GSK3BCLK4

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-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 — — US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 — — US disclosed
CN-116162084-A Pyran derivatives as CYP11A1 inhibitors 奥赖恩公司 2023-05-26 — — CN 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 (2 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-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 CA12 2362/4885CA9 1290/4885GRM5 2863/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 CA12 2833/4885CA9 1577/4885GRM5 2440/4885

“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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