SCHEMBL6273772

SCHEMBL6273772

CC(C)(O)Cn1c(N)nc2cc(CNCCCO)ccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.44
NUDT1 P36639 1/20 0.44
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
EGFR P00533 2/20 0.39
ITK Q08881 10/20 0.39
INSR P06213 8/20 0.39
TLR8 Q9NR97 1/20 0.36
ADORA2A P29274 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NOS1 P29475 1/20 0.34

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 0.88 ITK (0.45) POLBEGFRITKINSRADORA2A
SCHEMBL6420360 0.86 ITK (0.47) POLBEGFRITKINSRADORA2A
SCHEMBL6273767 0.85 ITK (0.42) POLBKDM4EEGFRITKINSR
SCHEMBL6276876 0.85 MEN1 (0.39) BACE1KDM4EEGFRITKINSR
SCHEMBL21310846 0.82 RPS6KA5 (0.47) BACE1NUDT1POLBKDM4EEGFR
SCHEMBL21310820 0.80 TLR8 (0.43) BACE1NUDT1POLBKDM4EITK
SCHEMBL6274631 0.79 ITK (0.52) BACE1ITKINSR
SCHEMBL6421021 0.79 ITK (0.53) BACE1POLBKDM4EITKINSR
SCHEMBL21310752 0.77 EGFR (0.39) BACE1NUDT1POLBEGFRITK
SCHEMBL21310818 0.75 EGFR (0.48) BACE1NUDT1POLBEGFRITK

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 BACE1 1163/4885NUDT1 3541/4885POLB 3466/4885

“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.