SCHEMBL4585295

SCHEMBL4585295

C[C@@H](CCC(c1cccc2nc(-c3cccs3)oc12)n1cnc(C(N)=O)c1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 10/20 0.44
PDE4C Q08493 1/20 0.35
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
F2 P00734 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
AURKA O14965 1/20 0.31
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
RET P07949 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 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
SCHEMBL4584389 0.90 ADA (0.41) ADA
SCHEMBL4584306 0.88 ADA (0.50) ADAPDE4CKDM4EGAAMAPT
SCHEMBL4584396 0.88 ADA (0.40) ADA
Hydrochloric Acid SCHEMBL4583751 0.88 ADA (0.49) ADAPDE4CKDM4EGAAMAPT
SCHEMBL4584056 0.87 ADA (0.50) ADA
SCHEMBL4584977 0.87 ADA (0.59) ADA
SCHEMBL4584649 0.86 ADA (0.49) ADAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL4585290 0.82 ADA (0.59) ADAPDE4CKDM4EGAAMAPT
SCHEMBL4584029 0.77 ADA (0.46) ADA
SCHEMBL4583749 0.76 ADA (0.49) 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 1/4885PDE4C 171/4885KDM4E 1126/4885

“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.