SCHEMBL8277685

SCHEMBL8277685

COc1ccc(F)cc1Nc1nc2c(ccc3cnccc32)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
MAPT P10636 8/20 0.43
POLB P06746 4/20 0.43
GAA P10253 4/20 0.43
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NFKB1 P19838 1/20 0.39
GFER P55789 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PIM1 P11309 4/20 0.39
PIM2 Q9P1W9 4/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
LMNA P02545 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
HTT P42858 3/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL8277682 0.87 MAPT (0.50) MEN1KMT2AMAPTPOLBGAA
SCHEMBL6128143 0.85 DUSP3 (0.40) MEN1KMT2AMAPTPOLBGAA
SCHEMBL8278810 0.85 MEN1 (0.39) MEN1KMT2AMAPTPOLBGAA
SCHEMBL8277675 0.84 PIP4K2A (0.41) MEN1KMT2AMAPTPOLBGAA
SCHEMBL6120660 0.83 MEN1 (0.44) MEN1KMT2AMAPTPOLBGAA
SCHEMBL6128202 0.83 CHRM4 (0.41) MEN1KMT2AMAPTPOLBGAA
SCHEMBL6126426 0.79 MAPT (0.38) MEN1KMT2AMAPTPOLBGAA
Hydrochloric Acid SCHEMBL6118302 0.78 MAPT (0.38) MEN1KMT2AMAPTPOLBGAA
SCHEMBL8277627 0.77 MAPT (0.41) MEN1KMT2AMAPTPOLBGAA
Hydrochloric Acid SCHEMBL6117654 0.76 MAPT (0.40) MEN1KMT2AMAPTPOLBGAA

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
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129811-A1 TRICYCLIC 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 (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-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 MEN1 1344/4885KMT2A 2701/4885MAPT 4816/4885

“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.