SCHEMBL29314729

SCHEMBL29314729

Cc1cc(C(C)C)cc2c1C(=O)N(CC1CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CA P42336 1/20 0.41
PARP1 P09874 4/20 0.36
PARP2 Q9UGN5 2/20 0.36
MAPT P10636 1/20 0.36
PIK3R1 P27986 1/20 0.36
NR1I2 O75469 1/20 0.35
UGCG Q16739 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 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
SCHEMBL1001568 0.83 PIK3CD (0.42) PIK3CGPIK3CDPIK3CAPARP1PARP2
SCHEMBL1001933 0.81 PIK3CG (0.42) PIK3CGPIK3CDPIK3CAPARP1PARP2
SCHEMBL13613670 0.81 PIK3CD (0.42) PIK3CGPIK3CDPIK3CAPARP1PARP2
SCHEMBL8271584 0.81 PIK3CD (0.42) PIK3CGPIK3CDPIK3CAPARP1PARP2
SCHEMBL17050433 0.77 GRM5 (0.43) PARP1MAPTHTR2A
SCHEMBL29313927 0.75 HTR2A (0.37) PIK3CGPIK3CDPIK3CAPARP1PIK3R1
SCHEMBL29314052 0.75 PIK3CG (0.59) PIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL24469663 0.74 PARP1 (0.56) PIK3CGPIK3CDPIK3CAPARP1PARP2
SCHEMBL12546250 0.74 MAPK1 (0.44) PARP1MAPTHTR2A
SCHEMBL1002883 0.74 PARP1 (0.47) PIK3CGPIK3CDPIK3CAPARP1PARP2

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-20240226104-A1 PI3K INHIBITORS, NANOFORMULATIONS, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-11 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-20240226104-A1 PI3K INHIBITORS, NANOFORMULATIONS, AND USES THEREOF PI4KA, PIK3CA, PI4KB PIK3CG 4/4885PIK3CD 5/4885PIK3CA 2/4885

“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.