SCHEMBL20061493

SCHEMBL20061493

COc1ccc(CN2CN(C)C(=O)c3c(NC(C)c4cc5ccccc5nc4-c4ccccc4)nc(C)nc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
PIK3CG P48736 1/20 0.39
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
PTGER4 P35408 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33

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
SCHEMBL20061495 0.92 IDH1 (0.40) IDH1KMT2AKDM4EMAPTPIK3CG
SCHEMBL20061460 0.90 PIK3CG (0.46) IDH1KMT2AKDM4EMAPTPIK3CG
SCHEMBL20061457 0.90 PIK3CG (0.46) IDH1KMT2AKDM4EMAPTPIK3CG
SCHEMBL20061489 0.78 PIK3CD (0.48) IDH1PIK3CG
SCHEMBL20061481 0.77 PIK3CD (0.55) PIK3CG
SCHEMBL20061488 0.74 PIK3CD (0.48) PIK3CG
SCHEMBL20061478 0.74 KMT2A (0.44) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL20061486 0.73 PIK3CD (0.51) PIK3CG
SCHEMBL20067864 0.73 PIK3CG (0.47) IDH1KDM4EMAPTPIK3CGALDH1A1
SCHEMBL20061483 0.72 PIK3CD (0.52) PIK3CG

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 IDH1 1452/4885KMT2A 1827/4885KDM4E 3174/4885

“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.