SCHEMBL20061478

SCHEMBL20061478

COc1ccc(CN2CN(C)C(=O)c3c(Cl)nc(C)nc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 3/20 0.40
GAA P10253 5/20 0.40
CASP3 P42574 2/20 0.40
APAF1 O14727 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CMA1 P23946 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CLPP Q16740 1/20 0.38
PSMD14 O00487 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL20081274 0.86 KMT2A (0.40) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL20061443 0.83 ALDH1A1 (0.45) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL20061493 0.74 IDH1 (0.40) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL28562357 0.72 CACNA2D1 (0.48) KMT2AKDM4EMAPTGAACASP3
SCHEMBL20061519 0.71 ALDH1A1 (0.42) KMT2AKDM4EMAPTGAACMA1
SCHEMBL20061521 0.70 ALDH1A1 (0.44) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL20061531 0.69 ALDH1A1 (0.42) KMT2AKDM4EMAPTGAACASP3
SCHEMBL20061523 0.68 ALDH1A1 (0.41) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL20061526 0.67 ALDH1A1 (0.43) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL17360667 0.67 CMA1 (0.59) KMT2AKDM4EMAPTMEN1GAA

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 KMT2A 1827/4885KDM4E 3174/4885MAPT 3610/4885

“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.