SCHEMBL22280896

SCHEMBL22280896

COc1ccc2c(c1)c1nccn1c1nc(-c3c(C)cc(C)cc3C)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
SRC P12931 2/20 0.33
NQO2 P16083 1/20 0.33
KMT2A Q03164 2/20 0.33
EIF2AK2 P19525 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
JAK2 O60674 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL22280897 0.84 DRD1 (0.33) TNK2PTAFR
SCHEMBL22280898 0.84 GRIA1 (0.31)
SCHEMBL22280688 0.80 ALDH1A1 (0.39) ALDH1A1NCOA1SRCKMT2ALMNA
SCHEMBL22280909 0.80 BCHE (0.39) ALDH1A1NPSR1SRCKMT2ALMNA
SCHEMBL21917594 0.78 MAPT (0.41) ALDH1A1NCOA1KMT2ALMNAKDM4E
SCHEMBL22280709 0.76 PDE2A (0.42) ALDH1A1NPSR1POLBKMT2ALMNA
SCHEMBL21918412 0.74 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19NCOA1
SCHEMBL21917513 0.72 KDM4E (0.38) ALDH1A1CYP3A4NCOA1NPSR1POLB
SCHEMBL21918369 0.72 EGFR (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19NCOA1
SCHEMBL21917598 0.71 KMT2A (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19NCOA1

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-20200239505-A1 BLUE PHOSPHORESCENT EMITTERS EMPLOYING FUNCTIONALIZED IMIDAZOPHENTHRIDINE AND ANALOGUES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2020-07-30 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-20200239505-A1 BLUE PHOSPHORESCENT EMITTERS EMPLOYING FUNCTIONALIZED IMIDAZOPHENTHRIDINE AND ANALOGUES EML4, TYR, TYMP ALDH1A1 2652/4885CYP3A4 240/4885CYP2C9 837/4885

“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.