SCHEMBL7106871

SCHEMBL7106871

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1Cc1ccc(C(=O)NC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
KLKB1 P03952 2/20 0.42
KLK1 P06870 1/20 0.42
POLB P06746 1/20 0.42
ELANE P08246 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KCNH2 Q12809 1/20 0.40
SNCA P37840 2/20 0.40
GLS O94925 1/20 0.40
GAA P10253 1/20 0.38
GRM5 P41594 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6161408 0.92 CHRM2 (0.42) BRD4KLKB1KLK1POLBELANE
SCHEMBL6163960 0.91 KLKB1 (0.48) KLKB1KLK1ELANECHRM3SNCA
SCHEMBL7100385 0.91 POLB (0.43) BRD4KLKB1KLK1POLBELANE
SCHEMBL6163869 0.91 POLB (0.45) KLKB1KLK1POLBELANERXFP1
SCHEMBL6166162 0.91 RAB9A (0.44) KLKB1KLK1POLBRXFP1CHRM2
SCHEMBL7108911 0.90 POLB (0.42) BRD4KLKB1KLK1POLBELANE
SCHEMBL7108857 0.90 POLB (0.46) KLKB1KLK1POLBELANERXFP1
SCHEMBL7105719 0.90 POLB (0.47) BRD4KLKB1KLK1POLBELANE
SCHEMBL7107098 0.88 PDK1 (0.42) BRD4KLKB1KLK1POLBELANE
SCHEMBL6170882 0.87 MAPT (0.45) KLKB1KLK1POLBELANERXFP1

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 BRD4 2818/4885KLKB1 530/4885KLK1 692/4885

“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.