SCHEMBL20061423

SCHEMBL20061423

COc1ccc(CNc2nc(C)nc(Cl)c2C(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
KMT2A Q03164 2/20 0.45
VNN1 O95497 2/20 0.45
MEN1 O00255 1/20 0.45
PIK3CA P42336 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
APP P05067 1/20 0.44
HIF1A Q16665 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
LMNA P02545 1/20 0.43
RAD52 P43351 1/20 0.43
ATM Q13315 1/20 0.43
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL28561177 0.85 PPARG (0.59) MAPTKMT2AVNN1MEN1ALDH1A1
SCHEMBL20061415 0.81 HTT (0.54) MAPTKMT2AVNN1MEN1ALDH1A1
SCHEMBL24096410 0.79 CA1 (0.50) MAPTPIK3CAALDH1A1APPCCNE2
SCHEMBL31184765 0.77 MAPT (0.49) MAPTKMT2AVNN1MEN1ALDH1A1
SCHEMBL30590416 0.75 VNN1 (0.46) VNN1ALDH1A1APPHIF1ACCNE2
SCHEMBL9262572 0.73 KDM4E (0.60) MAPTKMT2AVNN1MEN1ALDH1A1
SCHEMBL22712548 0.73 MAPT (0.58) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL22712456 0.73 MAPT (0.58) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL29410010 0.73 MAPT (0.58) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL24987203 0.72 KDM4E (0.50) MAPTVNN1ALDH1A1HIF1AKDM4E

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 MAPT 3610/4885KMT2A 1827/4885VNN1 3559/4885

“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.