SCHEMBL6072091

SCHEMBL6072091

N#Cc1c(N)nc2ccccc2c1Cc1cnc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
HRH3 Q9Y5N1 8/20 0.44
TAAR1 Q96RJ0 2/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP19A1 P11511 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL6072083 0.81 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6072069 0.79 KDM4E (0.50) ADRA2AKDM4EALDH1A1ADORA1MEN1
SCHEMBL6071641 0.77 ALDH1A1 (0.42) ADRA2AKDM4EALDH1A1ADORA1MEN1
SCHEMBL6071884 0.74 ALDH1A1 (0.42) ADRA2AKDM4EALDH1A1ADORA1MEN1
SCHEMBL6071424 0.73 KDM4E (0.41) ADRA2AKDM4EALDH1A1ADORA1MEN1
SCHEMBL6071945 0.72 ALDH1A1 (0.49) KDM4EALDH1A1ADORA1MEN1KMT2A
SCHEMBL6071687 0.71 KDM4E (0.41) ADRA2AKDM4EALDH1A1ADORA1MEN1
SCHEMBL6071926 0.70 ALDH1A1 (0.46) ADRA2AKDM4EALDH1A1ADORA1MEN1
SCHEMBL6265005 0.69 TLR8 (0.64) KDM4EALDH1A1NPSR1
SCHEMBL6252164 0.69 KDM4E (0.60) ADRA2AADRA1AKDM4EALDH1A1CYP2D6

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 ADRA2A 3607/4885ADRA2B 3599/4885ADRA2C 3598/4885

“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.