SCHEMBL10211024

SCHEMBL10211024

N=C(N)c1ccc(CNCl)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.57
PRSS3 P35030 4/20 0.57
PRSS2 P07478 3/20 0.57
F10 P00742 2/20 0.57
LOXL2 Q9Y4K0 1/20 0.57
F2 P00734 6/20 0.48
ST14 Q9Y5Y6 3/20 0.48
TMPRSS6 Q8IU80 1/20 0.48
LMNA P02545 2/20 0.48
PLG P00747 1/20 0.47
C1S P09871 1/20 0.47
MASP2 O00187 1/20 0.46
PLAU P00749 1/20 0.46
THPO P40225 1/20 0.46
APEX1 P27695 1/20 0.45

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
SCHEMBL48986 0.79 PRSS1 (0.57) PRSS1PRSS3PRSS2F10LOXL2
SCHEMBL8178806 0.79 CYP2C9 (0.37) PRSS1PRSS3PRSS2F10LOXL2
SCHEMBL10209044 0.79 PLA2G10 (0.52)
SCHEMBL20880153 0.76 PRSS1 (0.53) PRSS1PRSS3PRSS2F10LOXL2
SCHEMBL12085592 0.76 PRSS1 (0.56) PRSS1PRSS3PRSS2F10LOXL2
SCHEMBL13714812 0.76 PRSS1 (0.53) PRSS1PRSS3PRSS2F10LOXL2
SCHEMBL2717268 0.75 PRSS1 (0.70) PRSS1PRSS3PRSS2F10LOXL2
SCHEMBL19080482 0.75 PRSS1 (0.52) PRSS1PRSS3PRSS2F10LOXL2
SCHEMBL12085588 0.75 PRSS1 (0.58) PRSS1PRSS3PRSS2F10LOXL2
SCHEMBL12083000 0.75 PRSS1 (0.58) PRSS1PRSS3PRSS2F10LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 PRSS1 62/4885PRSS3 59/4885PRSS2 148/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 PRSS1 62/4885PRSS3 59/4885PRSS2 148/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PRSS1 62/4885PRSS3 59/4885PRSS2 148/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PRSS1 62/4885PRSS3 59/4885PRSS2 148/4885

“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.