SCHEMBL6416908

SCHEMBL6416908

NC(=O)CCn1c(C(N)=O)nc2cc(NCC(=O)c3ccccc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITK Q08881 18/20 0.47
INSR P06213 7/20 0.47
TXK P42681 2/20 0.43
ACHE P22303 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL6416231 0.89 ITK (0.44) ITKINSRTXKACHE
SCHEMBL6414828 0.88 JAK2 (0.45) ITKINSRACHEAKR1C3
SCHEMBL6417112 0.87 PTGER4 (0.44) ITKINSRACHEAKR1C3
SCHEMBL6273358 0.85 ACHE (0.43) ITKINSRACHEAKR1C3
SCHEMBL6419529 0.85 SMN1; SMN2 (0.47) ACHEAKR1C3
SCHEMBL6277030 0.84 RECQL (0.42) ACHEAKR1C3
SCHEMBL6272346 0.84 ACHE (0.39) ACHEAKR1C3
SCHEMBL6272962 0.84 HDAC1 (0.43) ACHEAKR1C3
SCHEMBL6415037 0.83 SMN1; SMN2 (0.39) ITKINSRACHEAKR1C3
SCHEMBL6275055 0.83 HDAC1 (0.46) ITKACHEAKR1C3

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 1 patent. 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

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 910/4885TXK 3/4885

“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.