SCHEMBL21980313

SCHEMBL21980313

CCOC(=O)c1cnc(NCc2cccc3nc(C(CC)Nc4ncnc5c4ncn5C4CCCCO4)n(-c4ccccc4)c(=O)c23)nc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 15/20 0.53
▸ PIK3CD O00329 14/20 0.53
▸ PIK3CG P48736 11/20 0.53
▸ HDAC8 Q9BY41 8/20 0.53
▸ PIK3CA P42336 8/20 0.53
▸ HDAC1 Q13547 7/20 0.53
▸ HDAC5 Q9UQL6 7/20 0.53
▸ HDAC7 Q8WUI4 6/20 0.53
▸ HDAC4 P56524 5/20 0.53
▸ HDAC2 Q92769 4/20 0.53
▸ HDAC9 Q9UKV0 3/20 0.53
▸ HDAC11 Q96DB2 7/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC3 O15379 5/20 0.42
▸ HDAC10 Q969S8 4/20 0.42
▸ PIK3CB P42338 3/20 0.41

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
SCHEMBL21980312 1.00 HDAC6 (0.53) HDAC6PIK3CDPIK3CGHDAC8PIK3CA
SCHEMBL22039312 0.91 PIK3CD (0.43) HDAC6PIK3CDPIK3CGHDAC8PIK3CA
SCHEMBL22039345 0.90 HDAC6 (0.48) HDAC6PIK3CDPIK3CGHDAC8PIK3CA
SCHEMBL22039351 0.89 HDAC6 (0.43) HDAC6PIK3CDPIK3CGHDAC8PIK3CA
SCHEMBL21980286 0.88 HDAC6 (0.42) HDAC6PIK3CDPIK3CGHDAC8PIK3CA
SCHEMBL21980283 0.88 HDAC6 (0.42) HDAC6PIK3CDPIK3CGHDAC8PIK3CA
SCHEMBL22039666 0.88 PIK3CD (0.51) HDAC6PIK3CDPIK3CGHDAC8PIK3CA
SCHEMBL21980294 0.86 HDAC6 (0.55) HDAC6PIK3CDPIK3CGHDAC8PIK3CA
SCHEMBL21980292 0.86 HDAC6 (0.55) HDAC6PIK3CDPIK3CGHDAC8PIK3CA
SCHEMBL21980291 0.85 PIK3CG (0.47) HDAC6PIK3CDPIK3CGHDAC8PIK3CA

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-20200165257-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-05-28 — — 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-20200165257-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER HDAC1, HDAC3, HDAC4 HDAC6 10/4885PIK3CD 17/4885PIK3CG 24/4885

“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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