SCHEMBL4895080

SCHEMBL4895080

N#Cc1ccc2[nH]nc(-c3ccnc4ccccc34)c2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.54
ALOX5 P09917 1/20 0.48
LRRK2 Q5S007 13/20 0.47
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
TGFBR1 P36897 2/20 0.41
MAPK14 Q16539 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5372727 0.82 ITK (0.63) ITKLRRK2
SCHEMBL4903778 0.80 MAP2K4 (0.51) ITKTGFBR1MAPK14KDM4ENPC1
SCHEMBL2859279 0.78 ITK (0.64) ITKLRRK2KDM4EALDH1A1HPGD
SCHEMBL2872558 0.76 ITK (0.53) ITKLRRK2
SCHEMBL2864569 0.76 MAP2K4 (0.52) ITKTGFBR1MAPK14NPC1MAPK1
SCHEMBL5382211 0.74 LRRK2 (0.58) ITKLRRK2
SCHEMBL1225637 0.74 PDPK1 (0.67) ITKTGFBR1
SCHEMBL27558623 0.74 TTK (0.43) TGFBR1MAPK14KDM4ENPC1ALDH1A1
SCHEMBL14539006 0.73 ALOX5 (0.57) ALOX5TGFBR1MAPK14
SCHEMBL31097132 0.73 ALOX5 (0.57) ALOX5TGFBR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders ASTRAZENECA AB (SE) 2008-01-31 US disclosed
CN-1906189-A 1-acetic acid-indole, -indazole and-benzimidazole derivatives for the treatment of respiratory diseases ASTRAZENECA AB (SE) 2007-01-31 CN 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-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders IDO1, ABAT, ECI1 ITK 3299/4885ALOX5 403/4885LRRK2 3409/4885

“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.