SCHEMBL4484831

SCHEMBL4484831

c1ccc2c(c1)Sc1ccccc1-c1[nH]ncc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.43
PIM1 P11309 2/20 0.42
CSNK1A1 P48729 2/20 0.42
PLK4 O00444 1/20 0.42
DAPK3 O43293 1/20 0.42
PDGFRA P16234 1/20 0.42
LTK P29376 1/20 0.42
MAP2K2 P36507 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
TDO2 P48775 1/20 0.42
CDK8 P49336 1/20 0.42
CDK5 Q00535 1/20 0.42
MAP2K1 Q02750 1/20 0.42
MST1R Q04912 1/20 0.42
PTK2 Q05397 1/20 0.42
MAP4K2 Q12851 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 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
SCHEMBL17073678 0.71 ALDH1A1 (0.48) KMT2AL3MBTL1ALDH1A1POLBLMNA
SCHEMBL19537629 0.71 ALDH1A1 (0.48) KMT2AL3MBTL1ALDH1A1POLBLMNA
SCHEMBL5227010 0.69 ALDH1A1 (0.41) KMT2AL3MBTL1ALDH1A1POLBGAA
SCHEMBL4490378 0.69 KMT2A (0.54) PIK3CAPIM1CSNK1A1PLK4DAPK3
SCHEMBL13817629 0.69 LTK (0.76) PIK3CAPIM1CSNK1A1PLK4DAPK3
SCHEMBL7230415 0.69 PIM1 (0.63) PIM1CSNK1A1PLK4DAPK3PDGFRA
SCHEMBL1116063 0.68 KMT2A (0.50) PIK3CAPIM1CSNK1A1PLK4DAPK3
SCHEMBL30506103 0.68 POLB (0.48) PIK3CAPIM1CSNK1A1PLK4DAPK3
SCHEMBL9273636 0.66 ALDH1A1 (0.35) PIK3CAKMT2AL3MBTL1ALDH1A1POLB
SCHEMBL4692166 0.64 ALDH1A1 (0.49) KMT2AL3MBTL1ALDH1A1MAPK14POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550498-B2 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2009-06-23 US disclosed
EP-1587807-B1 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-06-18 EP disclosed
US-20050209296-A1 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 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-20050209296-A1 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B PIK3CA 4260/4885PIM1 453/4885CSNK1A1 1399/4885

“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.