SCHEMBL6072083

SCHEMBL6072083

N#Cc1c(Cc2cnc[nH]2)nc2ccccc2c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.45
ADRA1A P35348 3/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1B P35368 2/20 0.45
HRH3 Q9Y5N1 8/20 0.44
TAAR1 Q96RJ0 2/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP19A1 P11511 1/20 0.39
CYP2D6 P10635 1/20 0.39
GLA P06280 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6072091 0.81 ADRA2A (0.45) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6072067 0.80 KDM4E (0.51) ADRA2AADRA1AKDM4EALDH1A1GLA
SCHEMBL6071634 0.79 KDM4E (0.42) ADRA2AADRA1AKDM4EALDH1A1GLA
SCHEMBL6071875 0.74 KDM4E (0.42) ADRA2AADRA1AKDM4EALDH1A1GLA
SCHEMBL6071415 0.73 KDM4E (0.41) ADRA2AADRA1AKDM4EALDH1A1GLA
SCHEMBL6072127 0.71 CYP1A2 (0.45) ADRA2AADRA1AKDM4EALDH1A1GLA
SCHEMBL6071684 0.71 KDM4E (0.41) ADRA2AADRA1AKDM4EALDH1A1CYP2D6
SCHEMBL6252164 0.69 KDM4E (0.60) ADRA2AADRA1AKDM4EALDH1A1CYP2D6
SCHEMBL9791332 0.68 ADORA1 (0.62) ADRA2AADRA1AKDM4EALDH1A1GLA
SCHEMBL18459144 0.67 KDM4E (0.56) 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 3607/4885ADRA1A 2901/4885ADRA2B 3599/4885

“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.