SCHEMBL6071941

SCHEMBL6071941

CC(c1ccccc1)c1c(C#N)c(N)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
TLR7 Q9NYK1 3/20 0.42
TLR8 Q9NR97 2/20 0.42
ADORA2A P29274 6/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ADRA2A P08913 1/20 0.40
ADORA1 P30542 4/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
RAD52 P43351 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
SCHEMBL5139696 0.87 RXFP1 (0.41) KDM4EALDH1A1ADORA2AHSD17B10HPGD
SCHEMBL7999931 0.79 ALDH1A1 (0.48) KDM4EALDH1A1ADORA2AHSD17B10ADORA1
SCHEMBL6071934 0.77 KDM4E (0.47) KDM4EALDH1A1TLR7TLR8ADORA2A
SCHEMBL6253855 0.75 KDM4E (0.56) KDM4EALDH1A1TLR7TLR8ADORA2A
SCHEMBL30315435 0.75 KDM4E (0.56) KDM4EALDH1A1TLR7TLR8ADORA2A
SCHEMBL6252164 0.75 KDM4E (0.60) KDM4EALDH1A1ADORA2AHSD17B10HPGD
SCHEMBL6071662 0.75 CACNA2D1 (0.43) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL6071996 0.75 ADORA2A (0.46) KDM4EALDH1A1ADORA2AHSD17B10HPGD
SCHEMBL6072133 0.73 KDM4E (0.43) KDM4EALDH1A1ADORA2AHSD17B10HTT
SCHEMBL3521028 0.72 KDM4E (0.56) KDM4EALDH1A1ADORA2AHSD17B10HPGD

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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 KDM4E 1032/4885ALDH1A1 3975/4885TLR7 751/4885

“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.