SCHEMBL20436458

SCHEMBL20436458

CCCc1cccc(CN=[N+]=[N-])n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
HRH4 Q9H3N8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
CTSK P43235 8/20 0.35
CTSS P25774 7/20 0.35
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CXCR4 P61073 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PGK1 P00558 1/20 0.32

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
SCHEMBL20417166 0.87 HRH4 (0.41) KCNH2HRH4KDM4EALDH1A1GRIN2D
SCHEMBL15259719 0.87 HRH4 (0.47) KCNH2HRH4KDM4EALDH1A1GRIN2D
SCHEMBL20436608 0.80 KDM4E (0.34) KCNH2HRH4KDM4EALDH1A1GRIN2D
SCHEMBL2522650 0.79 KCNH2 (0.67) KCNH2KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL20436537 0.79 CACNA1C (0.45) KCNH2HRH4KDM4EALDH1A1CXCR4
SCHEMBL15314267 0.79 ALDH1A1 (0.40) HRH4KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL17258436 0.79 HRH4 (0.44) KCNH2HRH4KDM4EALDH1A1GRIN2D
SCHEMBL17768583 0.79 HRH4 (0.40) KCNH2HRH4KDM4EALDH1A1GRIN2D
SCHEMBL30400479 0.78 KDM4E (0.37) KCNH2HRH4KDM4EALDH1A1GRIN2D
SCHEMBL20436460 0.78 KDM4E (0.37) KCNH2HRH4KDM4EALDH1A1GRIN2D

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-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2018-08-02 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-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ADORA2A, ADORA2B, ADORA1 KCNH2 4207/4885HRH4 787/4885KDM4E 3131/4885

“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.