SCHEMBL6133211

SCHEMBL6133211

CC(C)(C)[Si](C)(C)O[C@@H](CCCc1ccccc1Oc1ccccc1)Cn1cnc(C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADA P00813 11/20 0.38
HRH1 P35367 1/20 0.33
RIPK1 Q13546 1/20 0.33
LPAR1 Q92633 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
BCL2L2 Q92843 1/20 0.32
FFAR1 O14842 1/20 0.32
CYP19A1 P11511 1/20 0.31
CTNNB1 P35222 1/20 0.31

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
SCHEMBL6171390 0.89 ADA (0.41) ADALPAR1
SCHEMBL6172306 0.86 ADA (0.47) ADALPAR1
SCHEMBL6133179 0.84 ADA (0.37) ADA
Hydrochloric Acid SCHEMBL6133340 0.82 ADA (0.41) ADAHRH1LPAR1PHF8FFAR1
SCHEMBL6133619 0.82 ACLY (0.45) ADA
SCHEMBL5674202 0.81 KDM4E (0.39) ADA
SCHEMBL5673980 0.81 ADA (0.39) ADAHRH1
SCHEMBL5671209 0.80 ADA (0.40) ADA
SCHEMBL5672340 0.80 ADA (0.35) ADA
SCHEMBL6133210 0.79 ADA (0.50) ADAHRH1RIPK1

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-6908940-B2 Imidazole compounds and their use as adenosine deaminase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-21 US claimed
US-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-05-20 US claimed
US-6908940-B2 Imidazole compounds and their use as adenosine deaminase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-21 US disclosed
US-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-05-20 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-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ADA, AMPD2, AMPD1 ADA 1/4885HRH1 1239/4885RIPK1 2666/4885

“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.