SCHEMBL21396768

SCHEMBL21396768

N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccnc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.38
HTR2A P28223 4/20 0.38
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
LRRK2 Q5S007 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
BRD4 O60885 1/20 0.33
CNR1 P21554 1/20 0.33
IMPDH2 P12268 1/20 0.33
DRD4 P21917 2/20 0.32
GRM5 P41594 1/20 0.32
HSD11B1 P28845 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
SCHEMBL21396746 0.92 SMN1; SMN2 (0.35) DRD2HTR2AHTR1AHTR7ALDH1A1
SCHEMBL21396722 0.89 USP30 (0.35) DRD2HTR2AHTR1AHTR7ALDH1A1
SCHEMBL21396961 0.89 GRM5 (0.35) DRD2HTR2AHTR1AHTR7ALDH1A1
SCHEMBL19755213 0.84 CA1 (0.40) HTR2AALDH1A1MAPTKDM4ECA1
SCHEMBL21397150 0.83 SMN1; SMN2 (0.36) DRD2HTR2AHTR1AHTR7RECQL
SCHEMBL21397012 0.83 CNR2 (0.36) DRD2HTR2AHTR1AHTR7ALDH1A1
SCHEMBL21397015 0.82 LRRK2 (0.35) DRD2HTR2AALDH1A1MAPTKDM4E
SCHEMBL19755271 0.81 SMN1; SMN2 (0.43) HTR2AALDH1A1MAPTKDM4ECA1
SCHEMBL21397059 0.81 MEN1 (0.37) ALDH1A1MAPTKDM4ERECQLLRRK2
SCHEMBL21397137 0.81 LRRK2 (0.35) DRD2HTR2AALDH1A1MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543230-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
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 DRD2 2022/4885HTR2A 3931/4885HTR1A 3063/4885

“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.