SCHEMBL2486560

SCHEMBL2486560

Cn1c(Nc2ccc(O)cc2)nc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.68
NPC1 O15118 6/20 0.68
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
KDR P35968 1/20 0.59
PLK1 P53350 1/20 0.59
PTK2 Q05397 1/20 0.59
AURKB Q96GD4 1/20 0.59
GAA P10253 4/20 0.58
MAPT P10636 6/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 3/20 0.54
TP53 P04637 3/20 0.54
HSD17B10 Q99714 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.53

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
SCHEMBL1055556 0.84 GAA (0.71) RAB9ANPC1MEN1KMT2AKDR
SCHEMBL17661777 0.84 RAB9A (0.68) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL6430607 0.84 RAB9A (0.68) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL9910545 0.82 NPC1 (0.62) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL755893 0.81 RAB9A (0.64) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL2727856 0.80 HDAC6 (0.73) RAB9ANPC1GAAMAPTTP53
SCHEMBL9910546 0.80 NPC1 (0.67) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL2455341 0.78 NPC1 (0.67) RAB9ANPC1MEN1KMT2AAURKB
SCHEMBL3921729 0.76 GAA (0.78) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL13779307 0.76 NPC1 (1.00) RAB9ANPC1MEN1KMT2AGAA

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 RAB9A 822/4885NPC1 3738/4885MEN1 4437/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A RAB9A 822/4885NPC1 3738/4885MEN1 4437/4885

“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.