SCHEMBL6072086

SCHEMBL6072086

Cc1c(C#N)c(N)nc2cccc(-c3cnc[nH]3)c12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.43
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.37
HTT P42858 2/20 0.37
GLA P06280 1/20 0.36
ADORA2A P29274 2/20 0.36
HPGD P15428 2/20 0.36
DYRK1A Q13627 2/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 1/20 0.35

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
SCHEMBL6071637 0.79 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10HTTADORA2A
SCHEMBL6071879 0.75 KDM4E (0.39) KDM4EALDH1A1HSD17B10HTTADORA2A
SCHEMBL6071420 0.74 KDM4E (0.39) KDM4EALDH1A1HSD17B10HTTADORA2A
SCHEMBL6071685 0.71 KDM4E (0.39) KDM4EALDH1A1HSD17B10HTTADORA2A
SCHEMBL16655881 0.71 NISCH (0.48) IDO1ADRA2AADRA2B
SCHEMBL6251698 0.69 KDM4E (0.67) KDM4EALDH1A1GLAADORA2AHPGD
SCHEMBL6257122 0.69 ADORA1 (0.54) IDO1KDM4EALDH1A1GLAADORA2A
SCHEMBL8002709 0.69 IDO1 (0.36) IDO1KDM4EALDH1A1HSD17B10HTT
SCHEMBL6250856 0.68 IDO1 (0.56) IDO1KDM4EALDH1A1GLAADORA2A
SCHEMBL26260004 0.68 IDO1 (0.58) IDO1ADRA2AADRA2B

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 IDO1 1839/4885KDM4E 1032/4885ALDH1A1 3975/4885

“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.