SCHEMBL8737792

SCHEMBL8737792

COc1ncccc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.75
MMP9 P14780 1/20 0.74
ALDH1A1 P00352 6/20 0.66
MAPT P10636 6/20 0.66
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
LMNA P02545 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
KDM4E B2RXH2 2/20 0.66
HTT P42858 2/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
GAA P10253 3/20 0.63
HPGD P15428 2/20 0.63
POLB P06746 1/20 0.61
NPSR1 Q6W5P4 2/20 0.60
CFTR P13569 1/20 0.60
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL6121233 0.87 PIK3CG (0.80) PIK3CGMMP9ALDH1A1MAPTMEN1
SCHEMBL4523307 0.86 PIK3CG (1.00) PIK3CGMMP9ALDH1A1MAPTMEN1
Bromide SCHEMBL6114101 0.86 PIK3CG (0.78) PIK3CGMMP9ALDH1A1MAPTMEN1
SCHEMBL4522794 0.86 PIK3CG (0.78) PIK3CGMMP9ALDH1A1MAPTMEN1
SCHEMBL8738490 0.85 PIK3CG (0.77) PIK3CGMMP9ALDH1A1MAPTMEN1
SCHEMBL4514794 0.85 MMP9 (1.00) MMP9ALDH1A1MAPTMEN1KMT2A
SCHEMBL29394354 0.85 MMP9 (1.00) MMP9ALDH1A1MAPTMEN1KMT2A
SCHEMBL4526456 0.83 PIK3CG (0.74) PIK3CGMMP9ALDH1A1MAPTMEN1
SCHEMBL4524394 0.82 ALDH1A1 (0.78) PIK3CGMMP9ALDH1A1MAPTMEN1
SCHEMBL4520347 0.81 MMP9 (0.76) PIK3CGMMP9ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 PIK3CG 4850/4885MMP9 2/4885ALDH1A1 648/4885

“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.