SCHEMBL6101574

SCHEMBL6101574

Cc1cccc(-c2c(O)c3cccnc3[nH]c2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.67
GRIN3B O60391 5/20 0.67
GRIN1 Q05586 5/20 0.67
GRIN2A Q12879 5/20 0.67
GRIN2B Q13224 5/20 0.67
GRIN2C Q14957 5/20 0.67
GRIN3A Q8TCU5 5/20 0.67
FGFR1 P11362 1/20 0.52
FLT1 P17948 1/20 0.52
AURKA O14965 1/20 0.46
PARP1 P09874 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MAPT P10636 1/20 0.43
DAO P14920 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6101270 0.85 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8692300 0.84 GRIN2D (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1168903 0.81 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL858294 0.78 NPY5R (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6102612 0.77 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6103937 0.76 FGFR1 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7279665 0.75 NPC1 (0.53) AURKAPARP1NPC1RAB9A
SCHEMBL7922307 0.75 ADORA2A (0.72) ADORA2AADORA1
SCHEMBL8329645 0.74 NLRP3 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3358656 0.73 AURKA (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20060160811-A1 Aryl-condensed 3-arylpridine compounds and use thereof for controlling pathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2006-07-20 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-20060160811-A1 Aryl-condensed 3-arylpridine compounds and use thereof for controlling pathogenic fungi CBR3, C1R, CBR1 GRIN2D 894/4885GRIN3B 952/4885GRIN1 722/4885

“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.