SCHEMBL20068062

SCHEMBL20068062

CC(Nc1ncnc2[nH]ccc(=O)c12)c1cc2ccccc2nc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.62
PIK3CD O00329 16/20 0.47
PIK3R2 O00459 3/20 0.42
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
RPS6KB1 P23443 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL22237940 1.00 PIK3CG (0.62) PIK3CGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL20061394 1.00 PIK3CG (0.62) PIK3CGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL20061547 0.86 PIK3CG (0.68) PIK3CGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL20068049 0.86 PIK3CG (0.68) PIK3CGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL20067806 0.83 PIK3CD (0.54) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL20061366 0.83 PIK3CD (0.54) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL680984 0.80 PIK3CG (0.73) PIK3CGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL20067779 0.78 PIK3CD (0.67) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL20061378 0.78 PIK3CD (0.67) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL20068058 0.75 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312175-B1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RES INST CHEMICAL TECH (KR) 2020-07-22 EP claimed
EP-3312175-B1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RES INST CHEMICAL TECH (KR) 2020-07-22 EP disclosed
EP-3312175-A1 HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2018-04-25 EP disclosed
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 PIK3CG 19/4885PIK3CD 14/4885PIK3R2 8/4885

“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.