SCHEMBL10168157

SCHEMBL10168157

O=C(NCc1ccc(F)c(C(F)(F)F)c1)c1ncnc2c(NCc3cc(F)c(O)c(F)c3)n[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.43
RPS6KB1 P23443 7/20 0.41
AURKA O14965 7/20 0.40
AURKB Q96GD4 3/20 0.40
PTPN7 P35236 2/20 0.38
DUSP3 P51452 2/20 0.38
VNN1 O95497 3/20 0.37
PDPK1 O15530 1/20 0.37
MMP13 P45452 1/20 0.37
MAP2K7 O14733 1/20 0.36

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
SCHEMBL10162782 0.92 P2RX7 (0.47) P2RX7RPS6KB1AURKAAURKBPTPN7
SCHEMBL10168153 0.89 VNN1 (0.50) P2RX7RPS6KB1AURKAAURKBPTPN7
SCHEMBL10168167 0.89 P2RX7 (0.44) P2RX7RPS6KB1AURKAAURKBPTPN7
SCHEMBL10162789 0.88 P2RX7 (0.44) P2RX7RPS6KB1AURKAAURKBPTPN7
SCHEMBL8228611 0.88 GRM4 (0.48) RPS6KB1AURKAMMP13
SCHEMBL13593907 0.86 P2RX7 (0.43) P2RX7RPS6KB1AURKAAURKBPTPN7
SCHEMBL10209881 0.85 P2RX7 (0.45) P2RX7RPS6KB1AURKAAURKBPTPN7
SCHEMBL10168149 0.83 P2RX7 (0.56) P2RX7RPS6KB1AURKAAURKBPTPN7
SCHEMBL10165406 0.83 P2RX7 (0.47) P2RX7RPS6KB1AURKAAURKBPTPN7
SCHEMBL10168330 0.82 P2RX7 (0.39) P2RX7RPS6KB1AURKAAURKBPTPN7

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 2535/4885AURKA 2132/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 P2RX7 3795/4885RPS6KB1 2535/4885AURKA 2132/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 P2RX7 3795/4885RPS6KB1 2535/4885AURKA 2132/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 P2RX7 3795/4885RPS6KB1 2535/4885AURKA 2132/4885

“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.