SCHEMBL10162760

SCHEMBL10162760

C=C(O)C12CCC(CNc3n[nH]c4c(C(=O)NCc5ccc(F)c(C(F)(F)F)c5)ncnc34)(CC1)CC2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 3/20 0.38
P2RX7 Q99572 5/20 0.38
VNN1 O95497 6/20 0.35
AURKA O14965 2/20 0.34
AURKB Q96GD4 2/20 0.34
PTPN7 P35236 2/20 0.33
DUSP3 P51452 2/20 0.33
MMP13 P45452 2/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP3 P08254 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
MAP2K7 O14733 1/20 0.33
MMP10 P09238 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL10168330 0.94 P2RX7 (0.39) RPS6KB1P2RX7VNN1AURKAAURKB
SCHEMBL10162793 0.90 P2RX7 (0.39) RPS6KB1P2RX7VNN1AURKAAURKB
SCHEMBL10168153 0.83 VNN1 (0.50) RPS6KB1P2RX7VNN1AURKAAURKB
SCHEMBL10168167 0.83 P2RX7 (0.44) RPS6KB1P2RX7VNN1AURKAAURKB
SCHEMBL10168287 0.83 MAPK1 (0.41) RPS6KB1AURKAMMP13
SCHEMBL10162789 0.81 P2RX7 (0.44) RPS6KB1P2RX7VNN1AURKAAURKB
SCHEMBL10162814 0.81 MAPK1 (0.43) MMP13MMP10MMP9MMP8
SCHEMBL10168157 0.81 P2RX7 (0.43) RPS6KB1P2RX7VNN1AURKAAURKB
SCHEMBL10162782 0.80 P2RX7 (0.47) RPS6KB1P2RX7VNN1AURKAAURKB
SCHEMBL13593907 0.80 P2RX7 (0.43) RPS6KB1P2RX7VNN1AURKAAURKB

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-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 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-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

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 RPS6KB1 2535/4885P2RX7 3795/4885VNN1 312/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 RPS6KB1 2535/4885P2RX7 3795/4885VNN1 312/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 RPS6KB1 2535/4885P2RX7 3795/4885VNN1 312/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 RPS6KB1 2535/4885P2RX7 3795/4885VNN1 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.