SCHEMBL14917566

SCHEMBL14917566

Cc1nn(-c2ccccc2)c(=O)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.76
NPC1 O15118 4/20 0.76
GAA P10253 4/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
HTT P42858 1/20 0.74
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA9 Q16790 1/20 0.68
ALDH1A1 P00352 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.65
MAPK1 P28482 1/20 0.64
TSHR P16473 1/20 0.60
BCAT1 P54687 1/20 0.58
NPSR1 Q6W5P4 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HPGD P15428 1/20 0.58
HSP90AA1 P07900 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL4060721 0.78 BCAT1 (0.58) RAB9ANPC1GAASMN1; SMN2HTT
SCHEMBL6237284 0.77 ALDH1A1 (0.67) RAB9ANPC1GAASMN1; SMN2HTT
SCHEMBL10315082 0.77 MAPK1 (0.62) RAB9ANPC1GAASMN1; SMN2HTT
SCHEMBL10604503 0.76 RAB9A (0.64) RAB9ANPC1GAASMN1; SMN2HTT
SCHEMBL30719634 0.76 NPSR1 (0.79) GAASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL9231347 0.76 NPSR1 (0.79) GAASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL14518042 0.76 ALDH1A1 (0.59) HTTALDH1A1MAPK1TSHRBCAT1
SCHEMBL14518038 0.75 MAPK1 (0.51) RAB9ANPC1GAASMN1; SMN2HTT
SCHEMBL7587368 0.75 BCAT1 (0.55) RAB9ANPC1GAASMN1; SMN2HTT
SCHEMBL434996 0.75 NPSR1 (0.58) RAB9ANPC1GAASMN1; SMN2HTT

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 7 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
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
WO-2013068470-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 WO disclosed
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US disclosed
US-20130116241-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 RAB9A 617/4885NPC1 2314/4885GAA 1828/4885
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B RAB9A 617/4885NPC1 2314/4885GAA 1828/4885
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE2A RAB9A 483/4885NPC1 2434/4885GAA 105/4885

“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.