SCHEMBL21396659

SCHEMBL21396659

N#Cc1cccc(-c2cccc(-c3ncccc3-n3c4ccccc4c4ccccc43)c2C#N)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
HIF1A Q16665 1/20 0.35
CYP11B2 P19099 1/20 0.31
LRRK2 Q5S007 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
RECQL P46063 1/20 0.31
PDE4B Q07343 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
SCHEMBL21396779 0.92 LRRK2 (0.34) SMN1; SMN2HIF1ALRRK2SLC22A12PDE4B
SCHEMBL21397150 0.88 SMN1; SMN2 (0.36) SMN1; SMN2HIF1ACYP11B2LRRK2SLC22A12
SCHEMBL19755260 0.86 SMN1; SMN2 (0.43) SMN1; SMN2HIF1A
SCHEMBL21396660 0.85 CYP11B2 (0.33) SMN1; SMN2HIF1ACYP11B2LRRK2SLC22A12
SCHEMBL22377480 0.84 SMN1; SMN2 (0.42) SMN1; SMN2HIF1A
SCHEMBL21397052 0.83 KDM4E (0.35) SMN1; SMN2HIF1ACYP11B2
SCHEMBL21396741 0.83 TGFBR1 (0.39)
SCHEMBL21396787 0.81 TDO2 (0.33)
SCHEMBL21396907 0.81 DDB1 (0.34) SMN1; SMN2CYP11B2RECQL
SCHEMBL19755216 0.80 IMPDH2 (0.38) SMN1; SMN2HIF1A

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 3513/4885CYP11B2 1859/4885

“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.