SCHEMBL10210705

SCHEMBL10210705

ClNCc1ccc2[nH]ncc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
NOS1 P29475 3/20 0.53
MAOB P27338 1/20 0.51
CLK4 Q9HAZ1 5/20 0.49
CLK2 P49760 4/20 0.49
DYRK1A Q13627 4/20 0.49
ROCK2 O75116 4/20 0.49
ROCK1 Q13464 4/20 0.49
CSNK2A1 P68400 2/20 0.49
PRKACA P17612 2/20 0.49
RPS6KB1 P23443 2/20 0.49
PRKX P51817 2/20 0.49
PRKG2 Q13237 2/20 0.49
SGK2 Q9HBY8 2/20 0.49
DYRK3 O43781 2/20 0.49
GSK3B P49841 2/20 0.49
CDK5 Q00535 2/20 0.49
AURKA O14965 1/20 0.49
PRKD3 O94806 1/20 0.49
PRKCG P05129 1/20 0.49

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
SCHEMBL10210529 0.86 INSR (0.54) MAPK1NOS1CLK4CLK2DYRK1A
SCHEMBL13605404 0.83 MAPK1 (0.58) MAPK1NOS1MAOBCLK4CLK2
SCHEMBL8666610 0.80 NOS1 (0.57) MAPK1NOS1MAOBCLK4CLK2
SCHEMBL269208 0.79 MAPK1 (0.55) MAPK1NOS1MAOBCLK4CLK2
SCHEMBL18669009 0.77 ROCK2 (0.56) MAPK1NOS1MAOBCLK4CLK2
SCHEMBL27998026 0.77 MAPK1 (0.56) MAPK1NOS1MAOBCLK4CLK2
SCHEMBL764032 0.77 CDC7 (0.55) MAPK1NOS1MAOBCLK4CLK2
SCHEMBL264211 0.77 ROCK2 (0.58) MAPK1NOS1MAOBCLK4CLK2
SCHEMBL8805964 0.77 MAPK1 (0.54) MAPK1NOS1MAOBCLK4CLK2
SCHEMBL29728756 0.77 ROCK2 (0.58) MAPK1NOS1MAOBCLK4CLK2

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 MAPK1 2860/4885NOS1 3716/4885MAOB 273/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MAPK1 2860/4885NOS1 3716/4885MAOB 273/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MAPK1 2860/4885NOS1 3716/4885MAOB 273/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MAPK1 2860/4885NOS1 3716/4885MAOB 273/4885

“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.