SCHEMBL6273963

SCHEMBL6273963

COCCCNCc1ccc2c(c1)nc(C(N)=O)n2CC(C)(C)O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITK Q08881 16/20 0.49
INSR P06213 10/20 0.44
EGFR P00533 2/20 0.42
ADORA2A P29274 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL6420350 0.94 ITK (0.50) ITKINSREGFR
SCHEMBL6273767 0.89 ITK (0.42) ITKINSREGFR
SCHEMBL6273966 0.86 ITK (0.45) ITKINSREGFRADORA2AHDAC6
SCHEMBL6276868 0.83 ITK (0.39) ITKINSREGFR
SCHEMBL6420360 0.80 ITK (0.47) ITKINSREGFRADORA2A
SCHEMBL6270096 0.80 GRM2 (0.49) ITKINSREGFR
SCHEMBL6418924 0.79 ITK (0.46) ITKINSRHDAC6
SCHEMBL6420438 0.78 ITK (0.55) ITKINSR
SCHEMBL6420992 0.78 ITK (0.55) ITKINSR
SCHEMBL6274629 0.78 ITK (0.55) ITKINSR

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-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 US disclosed
WO-2005079791-A1 THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-01 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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK ITK 2/4885INSR 910/4885EGFR 967/4885

“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.