SCHEMBL4584056

SCHEMBL4584056

Cc1ccc(-c2nc3cccc(C(CC[C@H](C)O[Si](C)(C)C(C)(C)C)n4cnc(C(N)=O)c4)c3o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADA P00813 10/20 0.50
CEPT1 Q9Y6K0 2/20 0.34
CETP P11597 2/20 0.33
DHODH Q02127 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
IKBKB O14920 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
SCHEMBL4584977 0.93 ADA (0.59) ADACEPT1CETPDHODH
SCHEMBL4584649 0.93 ADA (0.49) ADACEPT1NPC1RAB9AIKBKB
SCHEMBL4584389 0.88 ADA (0.41) ADA
SCHEMBL4582914 0.87 ADA (0.57) ADACEPT1CETPDHODHNPC1
SCHEMBL4585295 0.87 ADA (0.44) ADA
SCHEMBL4584396 0.84 ADA (0.40) ADAIKBKB
SCHEMBL4583749 0.81 ADA (0.49) ADACEPT1
SCHEMBL4582655 0.81 ADA (0.51) ADACEPT1NPC1RAB9A
SCHEMBL4584054 0.81 ADA (0.67) ADACEPT1CETP
SCHEMBL4585451 0.81 ADA (0.59) ADACEPT1IKBKB

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 1/4885CEPT1 797/4885CETP 3930/4885

“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.