SCHEMBL20417166

SCHEMBL20417166

CCc1cccc(CN=[N+]=[N-])n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
KCNH2 Q12809 2/20 0.37
CXCR4 P61073 1/20 0.36
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
PARP1 P09874 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL15259719 0.92 HRH4 (0.47) HRH4KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL20436458 0.87 KCNH2 (0.46) HRH4KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL17258436 0.83 HRH4 (0.44) HRH4KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL15314267 0.83 ALDH1A1 (0.40) HRH4KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL17768583 0.83 HRH4 (0.40) HRH4KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL20436460 0.82 KDM4E (0.37) HRH4KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL30400479 0.82 KDM4E (0.37) HRH4KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL17768577 0.82 KDM4E (0.37) HRH4KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL20436608 0.81 KDM4E (0.34) HRH4KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL20416566 0.80 KDM4E (0.38) HRH4KDM4EALDH1A1GRIN2DGRIN3B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4310082-A2 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS Arcus Biosciences, Inc. (US) 2024-01-24 EP disclosed
EP-3570844-B1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES INC (US) 2023-09-06 EP disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 EP disclosed
US-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2018-08-02 US disclosed
WO-2018136700-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. (US) 2018-07-26 WO 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 HRH4 787/4885KDM4E 3131/4885ALDH1A1 679/4885

“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.