SCHEMBL21396746

SCHEMBL21396746

N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc(-c2cccnc2-n2c3ccccc3c3ccccc32)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
HIF1A Q16665 1/20 0.35
DRD2 P14416 5/20 0.35
HTR2A P28223 4/20 0.35
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34
RECQL P46063 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CYP11B2 P19099 1/20 0.31
LRRK2 Q5S007 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
BRD4 O60885 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
GRM5 P41594 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL21396768 0.92 DRD2 (0.38) SMN1; SMN2HIF1ADRD2HTR2AHTR1A
SCHEMBL21397150 0.88 SMN1; SMN2 (0.36) SMN1; SMN2HIF1ADRD2HTR2AHTR1A
SCHEMBL21396660 0.85 CYP11B2 (0.33) SMN1; SMN2HIF1ADRD2HTR2ARECQL
SCHEMBL19755271 0.84 SMN1; SMN2 (0.43) SMN1; SMN2HIF1AHTR2AKDM4EALDH1A1
SCHEMBL21396961 0.83 GRM5 (0.35) DRD2HTR2AHTR1AHTR7RECQL
SCHEMBL21396722 0.83 USP30 (0.35) SMN1; SMN2HIF1ADRD2HTR2AHTR1A
SCHEMBL21396744 0.82 PDE10A (0.38) SMN1; SMN2HIF1ACYP11B2SLC22A12
SCHEMBL21396742 0.82 PDE10A (0.38) SMN1; SMN2HIF1ACYP11B2SLC22A12
SCHEMBL22378435 0.82 SMN1; SMN2 (0.42) SMN1; SMN2HIF1AHTR2AKDM4EALDH1A1
SCHEMBL21397015 0.80 LRRK2 (0.35) SMN1; SMN2DRD2HTR2ARECQLKDM4E

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 SMN1; SMN2 3762/4885HIF1A 3513/4885DRD2 2022/4885

“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.