SCHEMBL20061632

SCHEMBL20061632

C[C@H](Nc1ncnc2[nH]cnc(=O)c12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.68
PIK3R1 P27986 8/20 0.63
PIK3CA P42336 5/20 0.63
PIK3CG P48736 5/20 0.63
PIK3CB P42338 4/20 0.63
PIK3R2 O00459 4/20 0.60

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
SCHEMBL20061539 1.00 PIK3CD (0.68) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL20061634 0.91 PIK3CD (0.64) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL357319 0.91 PIK3CD (0.64) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL20061541 0.91 PIK3CD (0.64) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL20081432 0.91 PIK3CD (0.75) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL20061537 0.91 PIK3CD (0.75) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL20061566 0.91 PIK3CD (0.68) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL20067829 0.91 PIK3CD (0.68) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL20061563 0.90 PIK3CD (0.61) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB
SCHEMBL22227557 0.88 PIK3CD (0.57) PIK3CDPIK3R1PIK3CAPIK3CGPIK3CB

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-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
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 9/4885PIK3CA 18/4885

“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.