SCHEMBL6276876

SCHEMBL6276876

CN1CCN(CCCNCc2ccc3c(c2)nc(N)n3CC(C)(C)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
BACE1 P56817 1/20 0.37
INSR P06213 2/20 0.36
ITK Q08881 2/20 0.36
HDAC1 Q13547 1/20 0.35
EGFR P00533 4/20 0.35
SRC P12931 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
RAD52 P43351 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6276868 0.87 ITK (0.39) MEN1KMT2AINSRITKHDAC1
SCHEMBL6273772 0.85 BACE1 (0.44) BACE1INSRITKEGFRKDM4E
SCHEMBL6273966 0.82 ITK (0.45) INSRITKEGFRALDH1A1
SCHEMBL6420360 0.80 ITK (0.47) INSRITKEGFRALDH1A1
SCHEMBL21311084 0.76 EGFR (0.50) MEN1KMT2ABACE1EGFRKDM4E
SCHEMBL26133856 0.75 EGFR (0.52) MEN1KMT2AEGFRKDM4ECNR2
SCHEMBL30377459 0.75 EGFR (0.52) MEN1KMT2AEGFRKDM4ECNR2
SCHEMBL21310820 0.74 TLR8 (0.43) BACE1INSRITKKDM4ERAD52
SCHEMBL21310846 0.74 RPS6KA5 (0.47) KMT2ABACE1INSRITKEGFR
SCHEMBL6274631 0.73 ITK (0.52) BACE1INSRITK

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 MEN1 3793/4885KMT2A 1803/4885AKT1 131/4885

“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.