SCHEMBL6023568

SCHEMBL6023568

NC(=O)CCn1c(N)nc2cc(N)ccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.48
KDM4E B2RXH2 4/20 0.48
NUDT1 P36639 1/20 0.48
HTT P42858 1/20 0.48
NOD1 Q9Y239 1/20 0.46
RAD52 P43351 1/20 0.46
TLR8 Q9NR97 1/20 0.45
CXCR4 P61073 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
INSR P06213 1/20 0.41
ITK Q08881 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6023576 0.86 KMT2A (0.56) NOD1KMT2AJAK2JAK1TYK2
SCHEMBL6414034 0.86 TLR8 (0.63) BACE1NUDT1NOD1TLR8KMT2A
SCHEMBL6023581 0.82 ITK (0.59) BACE1NUDT1NOD1TLR8INSR
SCHEMBL5461909 0.82 CXCR4 (0.66) KDM4EHTTNOD1TLR8CXCR4
SCHEMBL6469077 0.77 ITK (0.50) BACE1JAK2JAK1TYK2JAK3
SCHEMBL15337395 0.76 KDM4E (0.39) BACE1KDM4ENUDT1NOD1TLR8
SCHEMBL6023368 0.75 ITK (0.74) INSRITK
SCHEMBL14708873 0.75 NPC1 (0.58) BACE1NUDT1NOD1INSRITK
SCHEMBL6469297 0.75 BACE1 (0.48) BACE1INSRITK
SCHEMBL14698953 0.74 ITK (0.65) INSRITK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138420-B2 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-21 US disclosed
US-20050203158-A1 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-15 US disclosed
EP-1529046-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-05-11 EP disclosed
WO-2004014905-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 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-20050203158-A1 Substituted benzimidazole compounds ITK, BLK, SBK1 BACE1 1634/4885KDM4E 1213/4885NUDT1 1908/4885

“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.