SCHEMBL20061495

SCHEMBL20061495

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
PIK3CD O00329 5/20 0.39
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
PIK3CG P48736 1/20 0.38
APP P05067 1/20 0.36
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
ADORA2A P29274 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA1 P30542 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
SCHEMBL20061493 0.92 IDH1 (0.40) IDH1KMT2AKDM4EMAPTPIK3CG
SCHEMBL20061460 0.89 PIK3CG (0.46) IDH1PIK3CDKMT2AKDM4EMAPT
SCHEMBL20061457 0.89 PIK3CG (0.46) IDH1PIK3CDKMT2AKDM4EMAPT
SCHEMBL20061494 0.76 PIK3CG (0.46) PIK3CDPIK3CG
SCHEMBL20061618 0.76 PIK3CG (0.46) PIK3CDPIK3CG
SCHEMBL20061491 0.74 PIK3CD (0.55) PIK3CDPIK3CG
SCHEMBL20061485 0.74 PIK3CD (0.57) PIK3CDPIK3CG
SCHEMBL20061482 0.72 PIK3CD (0.60) PIK3CDPIK3CG
SCHEMBL20067864 0.72 PIK3CG (0.47) IDH1PIK3CDKDM4EMAPTPIK3CG
SCHEMBL20061498 0.72 PIK3CG (0.51) PIK3CDPIK3CG

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 1452/4885PIK3CD 14/4885KMT2A 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.