SCHEMBL21980291

SCHEMBL21980291

CC[C@H](Nc1ncnc2c1ncn2C1CCCCO1)c1nc2cccc(CN)c2c(=O)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 14/20 0.47
▸ PIK3CD O00329 13/20 0.47
▸ PIK3CA P42336 8/20 0.47
▸ PIK3CB P42338 5/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PIK3R1 P27986 5/20 0.47
▸ PIK3R2 O00459 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ PIK3C3 Q8NEB9 1/20 0.45
▸ HDAC6 Q9UBN7 6/20 0.45
▸ HDAC8 Q9BY41 5/20 0.45

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
SCHEMBL21980293 1.00 PIK3CG (0.47) PIK3CGPIK3CDPIK3CAPIK3CBNPC1
SCHEMBL22040066 0.93 HDAC6 (0.49) PIK3CGPIK3CDPIK3CAPIK3CBNPC1
SCHEMBL21980342 0.91 PIK3CD (0.54) PIK3CGPIK3CDPIK3CAPIK3CBNPC1
SCHEMBL15260579 0.91 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBNPC1
SCHEMBL21980237 0.89 PIK3CD (0.50) PIK3CGPIK3CDPIK3CAPIK3CBNPC1
SCHEMBL21980235 0.89 PIK3CD (0.50) PIK3CGPIK3CDPIK3CAPIK3CBNPC1
SCHEMBL22040718 0.89 HDAC6 (0.55) PIK3CGPIK3CDPIK3CAPIK3CBNPC1
SCHEMBL22040721 0.88 HDAC6 (0.62) PIK3CGPIK3CDPIK3CAPIK3CBNPC1
SCHEMBL22040041 0.88 HDAC6 (0.47) PIK3CGPIK3CDPIK3CAPIK3CBNPC1
SCHEMBL22039667 0.87 PIK3CD (0.53) PIK3CGPIK3CDPIK3CAPIK3CBNPC1

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-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
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 PIK3CG 24/4885PIK3CD 17/4885PIK3CA 14/4885

“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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