SCHEMBL6270099

SCHEMBL6270099

COCCN(C)Cc1ccc2c(c1)nc(N)n2CC(C)(C)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.46
INSR P06213 8/20 0.46
GRM2 Q14416 1/20 0.43
EGFR P00533 2/20 0.39
GRM1 Q13255 3/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
MAP4K4 O95819 1/20 0.37
ADORA2A P29274 1/20 0.36
NTSR1 P30989 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
SCHEMBL6270096 0.86 GRM2 (0.49) ITKINSRGRM2EGFRGRM1
SCHEMBL21310824 0.83 ALDH1A1 (0.37) ITKINSREGFRALDH1A1POLB
SCHEMBL6420360 0.80 ITK (0.47) ITKINSREGFRALDH1A1POLB
SCHEMBL6273961 0.78 ITK (0.52) ITKINSREGFRALDH1A1POLB
SCHEMBL6273966 0.78 ITK (0.45) ITKINSREGFRALDH1A1POLB
SCHEMBL21310820 0.78 TLR8 (0.43) ITKINSRALDH1A1POLBHTT
SCHEMBL21310846 0.78 RPS6KA5 (0.47) ITKINSREGFRALDH1A1POLB
SCHEMBL6418932 0.76 ITK (0.54) ITKINSREGFR
SCHEMBL21310752 0.76 EGFR (0.39) ITKINSREGFRALDH1A1POLB
SCHEMBL21310917 0.76 EGFR (0.54) ITKINSREGFRALDH1A1POLB

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 910/4885GRM2 3383/4885

“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.