SCHEMBL21396760

SCHEMBL21396760

C=C/C=C\c1c(C)n(-c2cccnc2-c2cccc(-c3c(C#N)cccc3-n3c4ccccc4c4ccccc43)c2)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL21396716 0.86 KDM4E (0.37) PDE4BSMN1; SMN2HIF1A
SCHEMBL25513927 0.79 IMPDH2 (0.34)
SCHEMBL21397012 0.76 CNR2 (0.36) SMN1; SMN2HIF1A
SCHEMBL21758524 0.76 PTGDR2 (0.39) PDE4BSMN1; SMN2
SCHEMBL23368258 0.75 ELANE (0.37) SMN1; SMN2HIF1A
SCHEMBL21758527 0.75 KDM4E (0.36) SMN1; SMN2HIF1A
SCHEMBL25744369 0.75 PDE9A (0.35)
SCHEMBL23368257 0.74 ELANE (0.34) PDE4BSMN1; SMN2HIF1A
SCHEMBL21758609 0.74 TDO2 (0.39) HIF1A
SCHEMBL21758523 0.74 TRPV1 (0.39) PDE4B

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 PDE4B 4420/4885SMN1; SMN2 3762/4885HIF1A 3513/4885

“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.