SCHEMBL7106877

SCHEMBL7106877

CCOC(=O)c1cn(Cc2ccc(-c3ccccc3)cc2)cc1Cc1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ELANE P08246 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6163207 0.95 TSHR (0.46) PDE3BPDE3ATSHRPOLBELANE
SCHEMBL6170882 0.92 MAPT (0.45) PDE3BPDE3ATSHRPOLBELANE
SCHEMBL7108857 0.91 POLB (0.46) PDE3BPDE3ATSHRPOLBELANE
SCHEMBL7105719 0.91 POLB (0.47) PDE3BPDE3ATSHRPOLBELANE
SCHEMBL6163869 0.88 POLB (0.45) PDE3BPDE3ATSHRPOLBELANE
SCHEMBL7106932 0.88 POLB (0.44) PDE3BPDE3ATSHRPOLBELANE
SCHEMBL6163697 0.87 TSHR (0.45) PDE3BPDE3ATSHRELANEPTGS1
SCHEMBL6164731 0.87 TSHR (0.45) PDE3BPDE3ATSHRELANEPTGS1
SCHEMBL7100385 0.87 POLB (0.43) PDE3BPDE3APOLBELANERXFP1
SCHEMBL6165876 0.86 MAPT (0.39) PDE3BPDE3ATSHRPOLBELANE

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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI PDE3B 211/4885PDE3A 172/4885TSHR 1192/4885

“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.