SCHEMBL10168330

SCHEMBL10168330

O=C(NCc1ccc(F)c(C(F)(F)F)c1)c1ncnc2c(NCC34CCC(C(=O)O)(CC3)CC4)n[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.39
RPS6KB1 P23443 5/20 0.37
VNN1 O95497 4/20 0.36
AURKA O14965 5/20 0.35
AURKB Q96GD4 5/20 0.35
MAP2K7 O14733 1/20 0.35
PTPN7 P35236 2/20 0.34
DUSP3 P51452 2/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
MMP10 P09238 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 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
SCHEMBL10162760 0.94 RPS6KB1 (0.38) P2RX7RPS6KB1VNN1AURKAAURKB
SCHEMBL10162793 0.92 P2RX7 (0.39) P2RX7RPS6KB1VNN1AURKAAURKB
SCHEMBL10168287 0.89 MAPK1 (0.41) RPS6KB1AURKAMMP13
SCHEMBL10168153 0.85 VNN1 (0.50) P2RX7RPS6KB1VNN1AURKAAURKB
SCHEMBL10168167 0.84 P2RX7 (0.44) P2RX7RPS6KB1VNN1AURKAAURKB
SCHEMBL10162789 0.82 P2RX7 (0.44) P2RX7RPS6KB1VNN1AURKAAURKB
SCHEMBL10162814 0.82 MAPK1 (0.43) MMP10MMP9MMP8MMP13
SCHEMBL10168157 0.82 P2RX7 (0.43) P2RX7RPS6KB1VNN1AURKAAURKB
SCHEMBL10162782 0.81 P2RX7 (0.47) P2RX7RPS6KB1VNN1AURKAAURKB
SCHEMBL13593907 0.81 P2RX7 (0.43) P2RX7RPS6KB1VNN1AURKAAURKB

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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
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-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-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-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 P2RX7 3795/4885RPS6KB1 2535/4885VNN1 312/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 P2RX7 3795/4885RPS6KB1 2535/4885VNN1 312/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 P2RX7 3795/4885RPS6KB1 2535/4885VNN1 312/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 P2RX7 3795/4885RPS6KB1 2535/4885VNN1 312/4885

“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.