SCHEMBL1543878

SCHEMBL1543878

Fc1ccc(Cl)cc1-c1nc(CN2CCCn3c(-c4ccncc4)nnc32)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
RAB9A P51151 5/20 0.40
DUSP3 P51452 1/20 0.40
PTPN11 Q06124 1/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 3/20 0.35
PKM P14618 1/20 0.35
S1PR1 P21453 2/20 0.35
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34

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
SCHEMBL4329314 0.98 KCNH2 (0.48) KCNH2RAB9ADUSP3PTPN11KMT2A
SCHEMBL1544442 0.85 KCNH2 (0.47) KCNH2RAB9ASMN1; SMN2BCHECYP3A4
SCHEMBL1543916 0.85 KCNH2 (0.46) KCNH2KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL4327916 0.83 KCNH2 (0.47) KCNH2RAB9ASMN1; SMN2BCHECYP3A4
SCHEMBL1545201 0.80 KCNH2 (0.43) KCNH2RAB9ADUSP3PTPN11KMT2A
SCHEMBL5482293 0.76 P2RX7 (0.40) KCNH2RAB9ASMN1; SMN2NPC1PKM
SCHEMBL1544389 0.75 CHRNB2 (0.44) RAB9ACYP3A4NPC1ADORA2APSEN1
SCHEMBL5478892 0.75 MAPT (0.40) KCNH2RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4336808 0.75 MAPT (0.38) KCNH2RAB9ASMN1; SMN2NPC1PKM
SCHEMBL4708679 0.74 KCNH2 (0.47) KCNH2RAB9ASMN1; SMN2BCHECYP3A4

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716152-B1 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-07-30 EP claimed
US-20070185095-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US claimed
EP-1716152-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2006-11-02 EP claimed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US claimed
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-12 US claimed
WO-2005080397-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2005-09-01 WO claimed
WO-2005077345-A1 COMPOUNDS FOR THE TREATMENT OF GASTRO-ESOPHAGEAL REFLUX DISEASE ASTRAZENECA AB (SE) 2005-08-25 WO claimed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP claimed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US claimed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO claimed
EP-1301519-B2 PRODRUGS OF PHOSPHONATE NUCLEOTIDE ANALOGUES AND METHODS FOR SELECTING AND MAKING SAME GILEAD SCIENCES INC (US) 2021-11-10 EP disclosed
EP-3235823-A1 PRODRUGS OF PHOSPHONATE NUCLEOTIDE ANALOGUES AND METHODS FOR SELECTING AND MAKING SAME Gilead Sciences, Inc. (US) 2017-10-25 EP disclosed
EP-2682397-B1 Prodrugs of phosphonate nucleotide analogues and methods for selecting and making same GILEAD SCIENCES INC (US) 2017-04-19 EP disclosed
EP-1301519-B1 PRODRUGS OF PHOSPHONATE NUCLEOTIDE ANALOGUES AND METHODS FOR SELECTING AND MAKING SAME GILEAD SCIENCES INC (US) 2015-02-25 EP disclosed
EP-2682397-A1 Prodrugs of phosphonate nucleotide analogues and methods for selecting and making same GILEAD SCIENCES, INC. (US) 2014-01-08 EP disclosed
WO-2005077345-A1 COMPOUNDS FOR THE TREATMENT OF GASTRO-ESOPHAGEAL REFLUX DISEASE ASTRAZENECA AB (SE) 2005-08-25 WO disclosed
US-20050124585-A1 Prodrugs of phosphonate nucleotide analogues BECKER MARK W (US) 2005-06-09 US disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 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 (5 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-20070185095-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM5 KCNH2 672/4885RAB9A 929/4885DUSP3 4581/4885
US-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 KCNH2 1764/4885RAB9A 1283/4885DUSP3 4400/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 KCNH2 710/4885RAB9A 1153/4885DUSP3 3512/4885
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM5 KCNH2 513/4885RAB9A 1393/4885DUSP3 4532/4885
US-20050124585-A1 Prodrugs of phosphonate nucleotide analogues PNP, TYMP, APRT KCNH2 4661/4885RAB9A 2115/4885DUSP3 2223/4885

“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.