Sugi Predict

Sugi Predict / Compounds / SCHEMBL20061457

SCHEMBL20061457

SCHEMBL20061457

COc1ccc(CN2CN(C)C(=O)c3c(NC(C)c4cc5ccccc5nc4-c4ccccc4)ncnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 3/20 0.46
▸ IDH1 O75874 1/20 0.42
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KRAS P01116 1/20 0.37
▸ PIK3CD O00329 6/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ SLC6A2 P23975 3/20 0.34
▸ CACNA2D1 P54289 3/20 0.34
▸ PIK3CB P42338 1/20 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
SCHEMBL20061460 1.00 PIK3CG (0.46) PIK3CGIDH1KMT2AKDM4EMAPT
SCHEMBL20061493 0.90 IDH1 (0.40) PIK3CGIDH1KMT2AKDM4EMAPT
SCHEMBL20061495 0.89 IDH1 (0.40) PIK3CGIDH1KMT2AKDM4EMAPT
SCHEMBL20067864 0.79 PIK3CG (0.47) PIK3CGIDH1KDM4EMAPTKRAS
SCHEMBL20061454 0.78 PIK3CD (0.53) PIK3CGPIK3CDPIK3CB
SCHEMBL22238011 0.77 PIK3CD (0.58) PIK3CGPIK3CDPIK3CB
SCHEMBL20061451 0.77 PIK3CD (0.58) PIK3CGPIK3CDPIK3CB
SCHEMBL20061459 0.75 PIK3CG (0.55) PIK3CGPIK3CDPIK3CB
SCHEMBL20061456 0.75 PIK3CG (0.55) PIK3CGPIK3CDPIK3CB
SCHEMBL20081310 0.75 IDH1 (0.41) IDH1KMT2AKDM4EMAPTNPC1

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 3 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

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 19/4885IDH1 1452/4885KMT2A 1827/4885

“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.