SCHEMBL2455341

SCHEMBL2455341

Cn1c(Nc2ccc(OCc3ccccc3)cc2)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
RAB9A P51151 6/20 0.67
HDAC6 Q9UBN7 1/20 0.53
AURKB Q96GD4 2/20 0.52
CHEK2 O96017 1/20 0.52
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
ROS1 P08922 1/20 0.52
FLT3 P36888 1/20 0.52
ERBB4 Q15303 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
PDE10A Q9Y233 3/20 0.51
GAA P10253 2/20 0.49
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL457343 0.79 TP53 (0.52) NPC1RAB9AHDAC6LMNATP53
SCHEMBL2486560 0.78 RAB9A (0.68) NPC1RAB9AAURKBPDE10AGAA
SCHEMBL6889302 0.77 NPC1 (0.56) NPC1RAB9AHDAC6GAALMNA
SCHEMBL2891786 0.76 RAF1 (0.83)
SCHEMBL17661777 0.75 RAB9A (0.68) NPC1RAB9AGAALMNATP53
SCHEMBL1055556 0.75 GAA (0.71) NPC1RAB9AGAALMNATP53
SCHEMBL6430607 0.75 RAB9A (0.68) NPC1RAB9AHDAC6GAALMNA
SCHEMBL11714868 0.74 MEN1 (0.67) NPC1RAB9AHDAC6AURKBCHEK2
SCHEMBL2491583 0.73 PDE10A (0.71) NPC1RAB9AAURKBPDE10AGAA
SCHEMBL9910545 0.73 NPC1 (0.62) NPC1RAB9AHDAC6GAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759532-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-06-24 US disclosed
EP-2364306-B1 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC (US) 2013-04-24 EP disclosed
EP-2364306-B1 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC (US) 2013-04-24 EP disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
EP-2364306-A1 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors Amgen Inc. (US) 2011-09-14 EP disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
WO-2010057126-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO disclosed
WO-2010057126-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO 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 (2 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-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A NPC1 3738/4885RAB9A 822/4885HDAC6 338/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A NPC1 3738/4885RAB9A 822/4885HDAC6 338/4885

“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.