SCHEMBL21637786

SCHEMBL21637786

O=C(O)CCC(=O)Nc1cc(-c2ccncc2)c[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.64
TTK P33981 4/20 0.64
AURKB Q96GD4 3/20 0.64
INCENP Q9NQS7 3/20 0.64
AURKA O14965 2/20 0.64
GPR142 Q7Z601 7/20 0.57
KIT P10721 3/20 0.56
SRC P12931 3/20 0.56
FLT3 P36888 3/20 0.56
BCHE P06276 1/20 0.51

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
SCHEMBL10062827 0.85 ITK (0.65) ITKTTKAURKBINCENPAURKA
SCHEMBL11351579 0.85 ITK (0.64) ITKTTKAURKBINCENPAURKA
SCHEMBL11456181 0.84 ITK (0.67) ITKTTKAURKBINCENPAURKA
SCHEMBL11456198 0.84 ITK (0.61) ITKTTKAURKBINCENPAURKA
SCHEMBL11456925 0.84 ITK (0.73) ITKTTKAURKBINCENPAURKA
SCHEMBL11351031 0.83 ITK (0.62) ITKTTKAURKBINCENPAURKA
SCHEMBL10062811 0.82 ITK (0.68) ITKTTKAURKBINCENPAURKA
SCHEMBL11450045 0.80 ITK (0.68) ITKTTKAURKBINCENPAURKA
SCHEMBL11363798 0.79 ITK (0.58) ITKTTKAURKBINCENPAURKA
SCHEMBL10062814 0.78 ITK (1.00) ITKTTKAURKBINCENPAURKA

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-20210187111-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK SCRIPPS HEALTH (US) 2021-06-24 US disclosed
WO-2020018434-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK SCRIPPS HEALTH (US) 2020-01-23 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-20210187111-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK MSR1, CD68, CD209 ITK 3836/4885TTK 2240/4885AURKB 876/4885

“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.