SCHEMBL20061603

SCHEMBL20061603

C[C@H](Nc1ncnc2[nH]cc(F)c(=O)c12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.68
PIK3R1 P27986 14/20 0.68
PIK3CG P48736 8/20 0.67
PIK3CB P42338 7/20 0.67
PIK3CA P42336 6/20 0.67

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
SCHEMBL20061416 1.00 PIK3CD (0.68) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL20061419 0.92 PIK3CD (0.71) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL20061604 0.92 PIK3CD (0.71) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL357645 0.86 PIK3CD (0.77) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL29377947 0.86 PIK3CD (0.71) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL22529213 0.86 PIK3CD (0.71) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL22529210 0.86 PIK3CD (0.71) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL20061414 0.86 PIK3CD (0.67) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL20067851 0.86 PIK3CD (0.67) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL20081432 0.85 PIK3CD (0.75) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA

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 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
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 14/4885PIK3R1 9/4885PIK3CG 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.