SCHEMBL6071884

SCHEMBL6071884

N#Cc1c(N)nc2ccccc2c1Cc1cc[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 6/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 3/20 0.37
CDK5 Q00535 2/20 0.36
DYRK1A Q13627 2/20 0.36
CDK5R1 Q15078 1/20 0.36
ADORA2A P29274 7/20 0.35
ADORA1 P30542 4/20 0.35
HSD17B10 Q99714 4/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
EGFR P00533 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL6071424 0.81 KDM4E (0.41) ALDH1A1KDM4EKMT2AMEN1NPSR1
SCHEMBL6071875 0.80 KDM4E (0.42) ALDH1A1KDM4EKMT2AHTTADORA2A
SCHEMBL6071641 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2AMEN1NPSR1
SCHEMBL6072069 0.80 KDM4E (0.50) ALDH1A1KDM4EKMT2AMEN1NPSR1
SCHEMBL6071687 0.77 KDM4E (0.41) ALDH1A1KDM4EKMT2AMEN1NPSR1
SCHEMBL6072091 0.74 ADRA2A (0.45) ALDH1A1KDM4EKMT2AMEN1NPSR1
SCHEMBL6071945 0.73 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2AMEN1NPSR1
SCHEMBL6071926 0.71 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1NPSR1
SCHEMBL6265005 0.70 TLR8 (0.64) ALDH1A1KDM4ENPSR1HSD17B10GAA
SCHEMBL6252164 0.70 KDM4E (0.60) ALDH1A1KDM4EKMT2AHTTADORA2A

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 ALDH1A1 3975/4885KDM4E 1032/4885KMT2A 1686/4885

“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.