SCHEMBL5099524

SCHEMBL5099524

BrC=Cc1ccc2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.66
NPC1 O15118 9/20 0.66
KDM4E B2RXH2 8/20 0.66
LMNA P02545 6/20 0.66
PKM P14618 2/20 0.66
MAPT P10636 8/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
HTT P42858 3/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
L3MBTL1 Q9Y468 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
ECE2 P0DPD6 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
TP53 P04637 1/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL5099515 1.00 RAB9A (0.66) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL5412134 1.00 RAB9A (0.66) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL28443608 0.89 RAB9A (0.80) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL9000411 0.81 RAB9A (0.69) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL6852547 0.81 RAB9A (0.63) RAB9ANPC1KDM4ELMNAPKM
Chimanine B SCHEMBL954132 0.81 KDM4E (0.63) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL9170782 0.81 RAB9A (0.89) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL9000404 0.81 RAB9A (0.69) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL6851972 0.81 RAB9A (0.63) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL9170780 0.81 RAB9A (0.89) RAB9ANPC1KDM4ELMNAPKM

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-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-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
US-7342026-B2 Substituted quinolines for the treatment of protozoa and retrovirus co-infections INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2008-03-11 US disclosed
US-20070293456-A9 Method for the synthesis of 3-substituted indolizine and benzoindolizine compounds HAYFORD ANTHONY 2007-12-20 US disclosed
EP-1351940-B1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS INST RECH DEVELOPPEMENT IRD (FR) 2007-07-25 EP disclosed
US-20060160770-A1 Method for the synthesis of 3-substituted indolizine and benzoindolizine compounds EAST CAROLINA UNIVERSITY 2006-07-20 US disclosed
WO-2006073938-A2 METHOD FOR THE SYNTHESIS OF 3-SUBSTITUTED INDOLIZINE AND BENZOINDOLIZINE COMPOUNDS EAST CAROLINA UNIVERSITY (US) 2006-07-13 WO disclosed
US-20050165052-A1 Substituted quinolines for the treatment of protozoa and retrovirus co-infections INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2005-07-28 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 (6 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 2314/4885KDM4E 803/4885
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B RAB9A 617/4885NPC1 2314/4885KDM4E 803/4885
US-20070293456-A9 Method for the synthesis of 3-substituted indolizine and benzoindolizine compounds HRH1, IDO1, RNASEH1 RAB9A 2981/4885NPC1 3135/4885KDM4E 2361/4885
US-20050165052-A1 Substituted quinolines for the treatment of protozoa and retrovirus co-infections C1S, C5, NSFL1C RAB9A 1036/4885NPC1 242/4885KDM4E 3607/4885
US-20060160770-A1 Method for the synthesis of 3-substituted indolizine and benzoindolizine compounds HRH1, IDO1, RNASEH1 RAB9A 2981/4885NPC1 3135/4885KDM4E 2361/4885
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE2A RAB9A 483/4885NPC1 2434/4885KDM4E 1619/4885

“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.