SCHEMBL6115382

SCHEMBL6115382

Cc1nc(C)n(C)c1C(=O)CBr

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RECQL P46063 1/20 0.30

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
Hydrochloric Acid SCHEMBL28202421 0.74 KMT2A (0.41) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL6115345 0.73 GSK3B (0.34) GSK3BKDM4E
SCHEMBL20138242 0.72 MAPK1 (0.50) KMT2AALDH1A1MAPTKDM4E
SCHEMBL13949274 0.71
SCHEMBL18355567 0.68 GSK3B (0.33) GSK3BKMT2AALDH1A1MEN1MAPT
SCHEMBL14434724 0.67 MAPK1 (0.31) KMT2A
Bromide SCHEMBL17077785 0.67 GSK3B (0.32) GSK3BKMT2AALDH1A1MEN1MAPT
SCHEMBL12012125 0.66 MAPK1 (0.62)
SCHEMBL10507084 0.66 ALDH1A1 (0.52) KMT2AALDH1A1MEN1MAPTRECQL
SCHEMBL19876783 0.66 TSHR (0.43) KMT2AALDH1A1KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
WO-2012162468-A1 THIAZOL DERIVATIVES AS PRO -MATRIX METALLOPROTEINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
WO-2012162468-A1 THIAZOL DERIVATIVES AS PRO -MATRIX METALLOPROTEINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
WO-2012068196-A1 BIS HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129897-A1 BIS HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129897-A1 BIS HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068196-A1 BIS HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129897-A1 BIS HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 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 (2 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-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION MMP13, MMP8, MMP11 GSK3B 1149/4885KMT2A 4146/4885ALDH1A1 1395/4885
US-20120129897-A1 BIS HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP3, TIMP3, MMP9 GSK3B 1930/4885KMT2A 2284/4885ALDH1A1 560/4885

“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.