SCHEMBL14912331

SCHEMBL14912331

Clc1ccc2nc(C=CBr)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
SLC2A1 P11166 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41

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
SCHEMBL14912329 1.00 KDM4E (0.45) KDM4EMEN1KMT2ALMNARAB9A
SCHEMBL14912096 0.79 BACE1 (0.50) KDM4EMEN1KMT2ALMNARAB9A
SCHEMBL14912093 0.79 BACE1 (0.50) KDM4EMEN1KMT2ALMNARAB9A
SCHEMBL11517006 0.78 S1PR4 (0.45) KDM4EMEN1KMT2ALMNARAB9A
SCHEMBL3597858 0.78 TDP1 (0.48) KDM4EMEN1KMT2ALMNARAB9A
SCHEMBL19643476 0.77 KDM4E (0.62) KDM4EMEN1KMT2ALMNARAB9A
SCHEMBL19643475 0.77 KDM4E (0.62) KDM4EMEN1KMT2ALMNARAB9A
SCHEMBL14912427 0.76 HDAC8 (0.59) KDM4EMEN1KMT2ALMNARAB9A
SCHEMBL14912423 0.76 HDAC8 (0.59) KDM4EMEN1KMT2ALMNARAB9A
SCHEMBL5412134 0.75 RAB9A (0.66) KDM4EMEN1KMT2ALMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657034-B2 Substituted furo[3,2-c]pyridines, thieno[3,2-c]pyridines, thieno[2,3-d]pyridazines and pyrido[3,4-d]pyridazines as phosphodiesterase type 10A inhibitors AbbVie Deuschland GmbH & Co. KG (DE) 2017-05-23 US disclosed
EP-2776418-B1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-01-04 EP disclosed
US-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-05-19 US disclosed
US-9273068-B2 Substituted isoquinolines and phthalazines as inhibitors of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-01 US disclosed
EP-2776418-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co KG (DE) 2014-09-17 EP disclosed
CN-104053654-A Inhibitors Of Phosphodiesterase Type 10a ABBVIE GMBH & CO KG 2014-09-17 CN disclosed
WO-2013068470-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 WO disclosed
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US disclosed
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 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 (3 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-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B KDM4E 803/4885MEN1 1923/4885KMT2A 2616/4885
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B KDM4E 803/4885MEN1 1923/4885KMT2A 2616/4885
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE2A KDM4E 1619/4885MEN1 2739/4885KMT2A 2153/4885

“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.