SCHEMBL21396660

SCHEMBL21396660

N#Cc1cccc(-c2cccc(-c3cccnc3-n3c4ccccc4c4ccccc43)c2C#N)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.33
LRRK2 Q5S007 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
RECQL P46063 2/20 0.32
SLC22A12 Q96S37 2/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
HIF1A Q16665 1/20 0.32
IMPDH2 P12268 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ELANE P08246 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MAPK14 Q16539 1/20 0.31
TNKS O95271 1/20 0.30
PARP1 P09874 1/20 0.30
PARP6 Q2NL67 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
PARP2 Q9UGN5 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
SCHEMBL21397015 0.95 LRRK2 (0.35) LRRK2SMN1; SMN2RECQLSLC22A12DRD2
SCHEMBL21396659 0.85 SMN1; SMN2 (0.35) CYP11B2LRRK2SMN1; SMN2RECQLSLC22A12
SCHEMBL21396746 0.85 SMN1; SMN2 (0.35) CYP11B2LRRK2SMN1; SMN2RECQLSLC22A12
SCHEMBL21396745 0.85 GABRA1 (0.35) LRRK2SLC22A12DRD2HTR2AIMPDH2
SCHEMBL21397049 0.85 GABRA1 (0.36) CYP11B2ALDH1A1MAPTKDM4E
SCHEMBL19062207 0.82 IMPDH2 (0.43) SMN1; SMN2IMPDH2ALDH1A1MAPTKDM4E
SCHEMBL19755260 0.81 SMN1; SMN2 (0.43) SMN1; SMN2HIF1AIMPDH2ALDH1A1MAPT
SCHEMBL22377480 0.80 SMN1; SMN2 (0.42) SMN1; SMN2HIF1AIMPDH2ALDH1A1MAPT
SCHEMBL21396657 0.79 PDE10A (0.38) CYP11B2SMN1; SMN2SLC22A12HIF1APDE10A
SCHEMBL21396658 0.79 PDE10A (0.38) CYP11B2SMN1; SMN2SLC22A12HIF1APDE10A

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 CYP11B2 1859/4885LRRK2 1375/4885SMN1; SMN2 3762/4885

“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.