SCHEMBL4583749

SCHEMBL4583749

C[C@@H](CCC(c1cccc2oc(-c3ccccc3)nc12)n1cnc(C(N)=O)c1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADA P00813 14/20 0.49
TOP2A P11388 1/20 0.36
HTR3A P46098 1/20 0.34
CEPT1 Q9Y6K0 1/20 0.32

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
SCHEMBL4582655 0.93 ADA (0.51) ADATOP2AHTR3ACEPT1
SCHEMBL4585451 0.93 ADA (0.59) ADATOP2AHTR3ACEPT1
SCHEMBL4584805 0.93 ADA (0.49) ADAHTR3A
SCHEMBL4584358 0.93 ADA (0.49) ADAHTR3A
SCHEMBL4584144 0.92 ADA (0.50) ADA
SCHEMBL4584014 0.91 ADA (0.48) ADA
SCHEMBL4585444 0.90 ADA (0.49) ADA
SCHEMBL4583695 0.87 ADA (0.57) ADATOP2AHTR3ACEPT1
Hydrochloric Acid SCHEMBL4582966 0.86 ADA (0.56) ADATOP2AHTR3ACEPT1
SCHEMBL4584128 0.84 ADA (0.39) ADA

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-7317107-B2 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
US-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2005-07-21 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-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ADA, AMPD2, AMPD1 ADA 1/4885TOP2A 860/4885HTR3A 747/4885

“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.