SCHEMBL6072069

SCHEMBL6072069

N#Cc1c(N)nc2ccccc2c1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
TLR8 Q9NR97 4/20 0.46
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 3/20 0.42
ADORA2A P29274 4/20 0.41
HSD17B10 Q99714 4/20 0.41
ADORA1 P30542 2/20 0.41
APP P05067 1/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
FPR1 P21462 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6071945 0.87 ALDH1A1 (0.49) KDM4EALDH1A1TLR8NPSR1KMT2A
SCHEMBL27975057 0.85 MEN1 (0.49) KDM4EALDH1A1NPSR1KMT2AMEN1
SCHEMBL6071884 0.80 ALDH1A1 (0.42) KDM4EALDH1A1TLR8NPSR1KMT2A
SCHEMBL6071641 0.80 ALDH1A1 (0.42) KDM4EALDH1A1TLR8NPSR1KMT2A
SCHEMBL15147641 0.79 TLR8 (0.51) KDM4EALDH1A1TLR8NPSR1KMT2A
SCHEMBL6071424 0.79 KDM4E (0.41) KDM4EALDH1A1TLR8NPSR1KMT2A
SCHEMBL6072091 0.79 ADRA2A (0.45) KDM4EALDH1A1NPSR1KMT2AMEN1
SCHEMBL6071687 0.79 KDM4E (0.41) KDM4EALDH1A1TLR8NPSR1KMT2A
SCHEMBL6071926 0.78 ALDH1A1 (0.46) KDM4EALDH1A1TLR8NPSR1KMT2A
SCHEMBL7015503 0.78 KDM4E (0.46) KDM4EALDH1A1NPSR1KMT2AMEN1

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 3975/4885TLR8 2581/4885

“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.