SCHEMBL6420360

SCHEMBL6420360

COCCNCc1ccc2c(c1)nc(N)n2CC(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITK Q08881 13/20 0.47
ADORA2A P29274 1/20 0.42
INSR P06213 10/20 0.42
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
EGFR P00533 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
PAK4 O96013 1/20 0.35

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
SCHEMBL6273966 0.94 ITK (0.45) ITKADORA2AINSRALDH1A1POLB
SCHEMBL6273772 0.86 BACE1 (0.44) ITKADORA2AINSRALDH1A1POLB
SCHEMBL6420350 0.85 ITK (0.50) ITKINSREGFR
SCHEMBL6273963 0.80 ITK (0.49) ITKADORA2AINSREGFR
SCHEMBL6276876 0.80 MEN1 (0.39) ITKINSRALDH1A1EGFR
SCHEMBL6270099 0.80 ITK (0.46) ITKADORA2AINSRALDH1A1POLB
SCHEMBL21310917 0.79 EGFR (0.54) ITKADORA2AINSRALDH1A1POLB
SCHEMBL21310820 0.79 TLR8 (0.43) ITKINSRALDH1A1POLBHTT
SCHEMBL21310846 0.79 RPS6KA5 (0.47) ITKINSRALDH1A1POLBHTT
SCHEMBL21310887 0.78 EGFR (0.55) ITKADORA2AALDH1A1POLBHTT

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-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK ITK 2/4885ADORA2A 2468/4885INSR 910/4885

“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.