SCHEMBL21397004

SCHEMBL21397004

N#Cc1cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cn3)c2C#N)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
NR3C1 P04150 1/20 0.34
TRPA1 O75762 1/20 0.32
TGFBR1 P36897 1/20 0.32
PIM1 P11309 1/20 0.32
SLC6A9 P48067 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
GRM2 Q14416 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
ACVR1B P36896 1/20 0.31
ACVRL1 P37023 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
SCHEMBL21396982 0.87 ALDH1A1 (0.39) ALOX5APFEN1NR3C1SLC6A9CYP11B1
SCHEMBL21397069 0.85 ALDH1A1 (0.39) ALOX5APFEN1SLC6A9CYP11B1CYP11B2
SCHEMBL21397005 0.84 ALDH1A1 (0.33) ALOX5APFEN1GRM2SMN1; SMN2ALDH1A1
SCHEMBL21397008 0.83 CYP11B1 (0.33) ALOX5APFEN1NR3C1TGFBR1SLC6A9
SCHEMBL21397068 0.82 ALDH1A1 (0.35) ALOX5APFEN1NR3C1TRPA1CYP11B1
SCHEMBL22378538 0.81 SMN1; SMN2 (0.36) TRPA1PIM1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL21397006 0.81 CYP11B1 (0.39) SLC6A9CYP11B1CYP11B2ALDH1A1NPSR1
SCHEMBL21396749 0.81 KDM4E (0.38) CYP11B2SMN1; SMN2ALDH1A1GABRA1GABRG2
SCHEMBL17955024 0.79 ATM (0.39) ALOX5APFEN1NR3C1TRPA1GRM2
SCHEMBL19755308 0.78 IMPDH2 (0.38) NR3C1TRPA1CYP11B1CYP11B2SMN1; SMN2

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 ALOX5AP 3860/4885FEN1 2515/4885NR3C1 4130/4885

“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.