SCHEMBL6121968

SCHEMBL6121968

Cc1nc(C)c(C(=O)CBr)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
Bromide SCHEMBL6115300 0.98 GSK3B (0.34) GSK3BALDH1A1L3MBTL1MEN1MAPT
SCHEMBL3023228 0.74 HSP90AA1 (0.39) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6115783 0.74 CYP1A2 (0.40) ALDH1A1L3MBTL1
SCHEMBL2616850 0.71 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL5725699 0.67 KDM4E (0.40) GSK3BALDH1A1L3MBTL1MEN1MAPT
SCHEMBL8349405 0.65 IGF1R (0.38) ALDH1A1L3MBTL1
Bromide SCHEMBL10859520 0.65 KDM4E (0.39) GSK3BALDH1A1L3MBTL1MEN1MAPT
SCHEMBL16944044 0.65 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL11292186 0.64 GSK3B (0.35) GSK3B
SCHEMBL828058 0.64 ALDH1A1 (0.33) ALDH1A1L3MBTL1

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
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-4590299-A 2-guanidino-4-heteroarylthiazoles PFIZER INC. (US) 1986-05-20 US disclosed
US-4510313-A 2-Guanidino-4-heteroarylthiazoles PFIZER INC. (US) 1985-04-09 US disclosed
EP-0050458-B1 2-GUANIDINO-4-HETEROARYLTHIAZOLES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1985-01-02 EP disclosed
US-4452987-A Haloacetyl imidazoles PFIZER INC. (US) 1984-06-05 US disclosed
US-4374843-A 2-Guanidino-4-heteroarylthiazoles PFIZER INC. (US) 1983-02-22 US disclosed
EP-0050458-A2 2-Guanidino-4-heteroarylthiazoles and pharmaceutical compositions containing them PFIZER INC. (US) 1982-04-28 EP 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-20120129897-A1 BIS HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP3, TIMP3, MMP9 GSK3B 1930/4885ALDH1A1 560/4885L3MBTL1 1238/4885

“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.