SCHEMBL20436609

SCHEMBL20436609

CCCOCc1cccc(CCl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
GPBAR1 Q8TDU6 3/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
BRD4 O60885 1/20 0.34
MITF O75030 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1I2 O75469 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
NOS1 P29475 1/20 0.32
LMNA P02545 1/20 0.32
TLR8 Q9NR97 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL20416843 0.77 KCNH2 (0.44) KCNH2KDM4ELMNA
SCHEMBL734728 0.76 KCNH2 (0.44) KCNH2KDM4EL3MBTL1NOS1LMNA
SCHEMBL20436608 0.74 KDM4E (0.34) KCNH2GPBAR1CYSLTR1KDM4ENPC1
SCHEMBL4263972 0.74 KCNH2 (0.48) KCNH2NOS1LMNAGRIN2DGRIN3B
SCHEMBL3709903 0.74 KCNH2 (0.43) KCNH2NPC1NOS1LMNAGRIN2D
SCHEMBL20417169 0.73 NLRP3 (0.42) CYSLTR1KDM4ECYSLTR2LMNA
Hydrochloric Acid SCHEMBL6588203 0.73 GRIN2D (0.43) KCNH2KDM4ENPC1L3MBTL1NOS1
SCHEMBL7661242 0.73 KCNH2 (0.44) KCNH2KDM4ENPC1LMNA
Hydrochloric Acid SCHEMBL9939003 0.72 KCNH2 (0.42) KCNH2KDM4ENPC1LMNAGRIN2D
SCHEMBL15410393 0.72 KCNH2 (0.35) KCNH2

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 4207/4885GPBAR1 141/4885CYSLTR1 576/4885

“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.