SCHEMBL20061344

SCHEMBL20061344

CCOC(C)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.47
PIK3CB P42338 15/20 0.47
PIK3CG P48736 15/20 0.47
PIK3CA P42336 14/20 0.47
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
CBFB Q13951 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PRNP P04156 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL20068034 0.90 PIK3CD (0.46) PIK3CDPIK3CBPIK3CGPIK3CAMEN1
SCHEMBL28565071 0.83 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CAMETAP2
SCHEMBL20061345 0.83 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CAMETAP2
SCHEMBL20067857 0.79 PIK3CD (0.58) PIK3CDPIK3CBPIK3CGPIK3CAMEN1
SCHEMBL20081373 0.78 FABP3 (0.44) PIK3CDPIK3CBPIK3CGPIK3CAMEN1
SCHEMBL6121710 0.77 PIK3CD (0.58) PIK3CDPIK3CBPIK3CGPIK3CAMETAP2
SCHEMBL28567158 0.77 PIK3CD (0.52) PIK3CDPIK3CBPIK3CGPIK3CAMEN1
SCHEMBL20061346 0.75 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL28575779 0.75 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL20068033 0.75 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4

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-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 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-20180105527-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT WEE2, WEE1, ITK PIK3CD 14/4885PIK3CB 23/4885PIK3CG 19/4885

“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.