SCHEMBL23948352

SCHEMBL23948352

c1ccc2c(c1)c1ccccc1n2-c1nc2c3cccnc3c3cccnc3n2c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
PDE4A P27815 5/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
CDK9 P50750 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 1/20 0.32
DHFR P00374 1/20 0.32
KDM4E B2RXH2 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ATM Q13315 1/20 0.32
PARP1 P09874 1/20 0.31
LMNA P02545 3/20 0.31
HSP90AA1 P07900 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL23948350 0.75 ACHE (0.38) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL23948722 0.75 KDM4E (0.51) ACHEALDH1A1TSHRCYP2C19KDM4E
SCHEMBL23948724 0.75 PDE4A (0.40) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL23948655 0.73 PDE4A (0.43) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL23948727 0.69 PDE4A (0.40) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL23948635 0.69 PDE4A (0.41) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL19829498 0.69 KDM4E (0.51) ALDH1A1TSHRKDM4EL3MBTL1ATM
SCHEMBL3705425 0.67 KDM4E (0.43) CDK9ALDH1A1CYP2C19KDM4EL3MBTL1
SCHEMBL22747643 0.66 KDM4E (0.40) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL17993480 0.66 KDM4E (0.56) ACHEALDH1A1TSHRCYP2C19KDM4E

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-20210323963-A1 Functional Materials Based on Stable Chemical Structure ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2021-10-21 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-20210323963-A1 Functional Materials Based on Stable Chemical Structure TEAD4, TEAD2, TEAD1 ACHE 1059/4885PDE4A 948/4885PDE4B 1213/4885

“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.