SCHEMBL2369253

SCHEMBL2369253

C[Si](C)(C)Nc1nc2ccccc2c2[nH]cnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDPK1 O15530 1/20 0.36
CA12 O43570 1/20 0.36
PARP1 P09874 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA9 Q16790 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ABL1 P00519 1/20 0.35
RAD52 P43351 1/20 0.35
RIN1 Q13671 1/20 0.35
JAK2 O60674 1/20 0.35
ATM Q13315 1/20 0.35
ELANE P08246 2/20 0.35
CCNE2 O96020 1/20 0.34

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
SCHEMBL6099467 0.82 MAPT (0.42) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6701751 0.79 ADORA3 (0.52) KDM4EALDH1A1SMN1; SMN2RAD52MEN1
SCHEMBL2761000 0.78 ADORA3 (0.41) PDPK1CA12PARP1ALOX15SMN1; SMN2
SCHEMBL5528653 0.76 GPR3 (0.48) ALDH1A1HPGDHSD17B10PDPK1CA12
SCHEMBL3817794 0.76 PDE4A (0.37) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL487415 0.73 ALDH1A1 (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7072625 0.73 SMN1; SMN2 (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5507881 0.73 SMN1; SMN2 (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL9076301 0.73 SMN1; SMN2 (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL487627 0.73 MAOA (0.42) KDM4EALDH1A1GLAGAAHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096103-A1 IMIDAZOQUINOLINE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2013-04-18 US disclosed
US-20110217323-A1 IMIDAZOQUINOLINE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2011-09-08 US disclosed
US-20080213308-A1 Imidazoquinoline Compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-09-04 US disclosed
EP-1797091-A2 IMIDAZOQUINOLINE COMPOUNDS Novartis Vaccines and Diagnostics, Inc. (US) 2007-06-20 EP disclosed
WO-2006031878-A2 IMIDAZOQUINOLINE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-03-23 WO 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 (3 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-20130096103-A1 IMIDAZOQUINOLINE COMPOUNDS IFNG, IRF3, MYD88 KDM4E 2683/4885ALDH1A1 3836/4885GLA 4226/4885
US-20110217323-A1 IMIDAZOQUINOLINE COMPOUNDS IFNG, IRF3, MYD88 KDM4E 2683/4885ALDH1A1 3836/4885GLA 4226/4885
US-20080213308-A1 Imidazoquinoline Compounds IFNG, IRF3, MYD88 KDM4E 2683/4885ALDH1A1 3836/4885GLA 4226/4885

“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.