SCHEMBL4148720

SCHEMBL4148720

CC(=O)Nc1ccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.62
MAPT P10636 8/20 0.59
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 5/20 0.59
LMNA P02545 5/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
NPSR1 Q6W5P4 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
GAA P10253 4/20 0.59
HTT P42858 3/20 0.59
HPGD P15428 3/20 0.59
ALOX12 P18054 3/20 0.59
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
PIM1 P11309 1/20 0.58
RPS6KB1 P23443 1/20 0.58
CDK2 P24941 1/20 0.58
FLT4 P35916 1/20 0.58
FLT3 P36888 1/20 0.58

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
SCHEMBL2352343 0.90 SYK (0.62) SYKMAPTALDH1A1KDM4ELMNA
SCHEMBL1684593 0.88 MAPT (0.73) SYKMAPTALDH1A1KDM4ELMNA
SCHEMBL1684431 0.87 PRKD3 (0.74) SYKMAPTALDH1A1KDM4ELMNA
SCHEMBL1684860 0.87 CDK2 (0.77) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL12790189 0.86 SYK (0.60) SYKMAPTALDH1A1KDM4ELMNA
SCHEMBL1684920 0.85 SYK (0.67) SYKMAPTALDH1A1KDM4ELMNA
SCHEMBL1684773 0.85 SYK (0.67) SYKMAPTALDH1A1KDM4ELMNA
SCHEMBL1684611 0.85 SYK (0.67) SYKMAPTALDH1A1KDM4ELMNA
Bromide SCHEMBL18040673 0.84 SYK (0.66) SYKMAPTALDH1A1KDM4ELMNA
Bromide SCHEMBL18040728 0.84 SYK (0.66) SYKMAPTALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209573-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-20 US claimed
EP-1804803-A4 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-07-30 EP claimed
CN-101083996-A Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2007-12-05 CN claimed
EP-1804803-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2007-07-11 EP claimed
WO-2006050351-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2006-05-11 WO claimed
US-20090209573-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-20 US disclosed
US-20090209573-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-20 US disclosed
US-20090209573-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-20 US disclosed
EP-1804803-A4 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-07-30 EP disclosed
CN-101083996-A Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2007-12-05 CN disclosed
EP-1804803-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2007-07-11 EP disclosed
WO-2006050351-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2006-05-11 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 (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-20090209573-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SYK 4269/4885MAPT 4520/4885ALDH1A1 2214/4885

“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.