SCHEMBL4582650

SCHEMBL4582650

C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCc1cccc2oc(-c3ccc(F)cc3)nc12)n1cnc(C(N)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADA P00813 11/20 0.67
UTRN P46939 1/20 0.36
HTR3A P46098 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CEPT1 Q9Y6K0 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 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
SCHEMBL4583746 0.94 ADA (0.67) ADAHTR3A
SCHEMBL4585448 0.93 ADA (0.78) ADAHTR3ANPC1RAB9A
SCHEMBL4584354 0.93 ADA (0.65) ADAHTR3ATP53
SCHEMBL4584798 0.92 ADA (0.65) ADATP53THRB
SCHEMBL4584009 0.91 ADA (0.64) ADATP53
SCHEMBL4585439 0.90 ADA (0.66) ADAUTRN
SCHEMBL4584138 0.89 ADA (0.67) ADATP53
SCHEMBL4582821 0.88 ADA (0.86) ADAUTRNHTR3ANPC1RAB9A
SCHEMBL4584054 0.82 ADA (0.67) ADACEPT1
SCHEMBL4582655 0.82 ADA (0.51) ADAUTRNHTR3APSEN1PSEN2

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 1/4885UTRN 4015/4885HTR3A 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.