SCHEMBL21397150

SCHEMBL21397150

N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc(-c2ncccc2-n2c3ccccc3c3ccccc32)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 1/20 0.36
CNR2 P34972 1/20 0.32
CYP11B2 P19099 1/20 0.32
LRRK2 Q5S007 1/20 0.32
DRD2 P14416 4/20 0.31
HTR2A P28223 3/20 0.31
SLC22A12 Q96S37 2/20 0.31
RECQL P46063 1/20 0.31
PDE4B Q07343 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HTR1A P08908 2/20 0.30
HTR7 P34969 2/20 0.30
RPS6KB1 P23443 1/20 0.30
ROCK1 Q13464 1/20 0.30
METAP2 P50579 1/20 0.30
IMPDH2 P12268 1/20 0.30
TGFBR1 P36897 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
SCHEMBL21396659 0.88 SMN1; SMN2 (0.35) SMN1; SMN2HIF1ACYP11B2LRRK2SLC22A12
SCHEMBL21396746 0.88 SMN1; SMN2 (0.35) SMN1; SMN2HIF1ACYP11B2LRRK2DRD2
SCHEMBL21397012 0.87 CNR2 (0.36) SMN1; SMN2HIF1ACNR2LRRK2DRD2
SCHEMBL19755271 0.85 SMN1; SMN2 (0.43) SMN1; SMN2HIF1AHTR2ACA1CA2
SCHEMBL21396779 0.83 LRRK2 (0.34) SMN1; SMN2HIF1ACNR2LRRK2DRD2
SCHEMBL21396768 0.83 DRD2 (0.38) SMN1; SMN2HIF1ALRRK2DRD2HTR2A
SCHEMBL21396742 0.81 PDE10A (0.38) SMN1; SMN2HIF1ACYP11B2SLC22A12
SCHEMBL21396957 0.81 TGFBR1 (0.34) SMN1; SMN2HIF1ACNR2LRRK2DRD2
SCHEMBL21396716 0.81 KDM4E (0.37) SMN1; SMN2HIF1ACNR2CYP11B2LRRK2
SCHEMBL22378435 0.80 SMN1; SMN2 (0.42) SMN1; SMN2HIF1AHTR2ACA1CA2

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 3513/4885CNR2 3596/4885

“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.