SCHEMBL13331058

SCHEMBL13331058

COC(=O)c1ccc(Oc2ncccc2Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ MAPT P10636 5/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ P2RY1 P47900 1/20 0.45

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
SCHEMBL20406531 0.85 PDE10A (0.58) PDE10ATDP1MAPTKDM4EMEN1
SCHEMBL2458300 0.85 PDE10A (0.53) PDE10ATDP1MAPTPOLBCA1
SCHEMBL6128279 0.83 TDP1 (0.56) PDE10ATDP1MAPTKDM4EPOLB
SCHEMBL6120085 0.81 RAB9A (0.67) TDP1MAPTKDM4EPOLBMEN1
SCHEMBL20406612 0.80 PDE10A (0.48) PDE10ATDP1MAPTKDM4EMEN1
SCHEMBL20406605 0.80 LMNA (0.49) PDE10ATDP1MAPTKDM4EKMT2A
SCHEMBL4318737 0.80 LMNA (0.53) TDP1MAPTKDM4EPOLBMEN1
SCHEMBL20406603 0.79 PDE10A (0.46) PDE10ATDP1KDM4ERAB9AALDH1A1
SCHEMBL3642336 0.78 MAPT (0.53) TDP1MAPTKDM4EPOLBMEN1
SCHEMBL20406378 0.78 PDE10A (0.46) PDE10ATDP1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

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 PDE10A 3/4885TDP1 39/4885MAPT 2253/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A PDE10A 3/4885TDP1 39/4885MAPT 2253/4885

“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.

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