SCHEMBL4180798

SCHEMBL4180798

CN(C)C(=O)c1cc(C#N)cc(-c2nc(-c3ccccn3)no2)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.71
PKM P14618 7/20 0.49
TP53 P04637 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
KLF5 Q13887 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL4200115 0.85 GRM5 (0.71) GRM5PKMTP53SMN1; SMN2NPC1
SCHEMBL14394791 0.84 GRM5 (0.66) GRM5PKMTP53SMN1; SMN2NPC1
SCHEMBL4186236 0.82 GRM5 (0.90) GRM5PKMTP53SMN1; SMN2NPC1
SCHEMBL4192154 0.81 GRM5 (0.83) GRM5PKMTP53SMN1; SMN2NPC1
SCHEMBL4194837 0.81 GRM5 (0.83) GRM5PKMTP53SMN1; SMN2NPC1
SCHEMBL4187486 0.81 GRM5 (0.83) GRM5PKMTP53SMN1; SMN2NPC1
SCHEMBL4191006 0.80 GRM5 (0.85) GRM5PKMTP53SMN1; SMN2NPC1
SCHEMBL4197981 0.79 GRM5 (1.00) GRM5PKMTP53SMN1; SMN2NPC1
SCHEMBL14394937 0.79 GRM5 (0.83) GRM5PKMTP53SMN1; SMN2NPC1
SCHEMBL4180921 0.79 GRM5 (0.83) GRM5PKMTP53SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 US claimed
EP-1896011-A1 NEW USE AstraZeneca AB (SE) 2008-03-12 EP claimed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US claimed
WO-2007001973-A1 NEW USE ASTRAZENECA AB (SE) 2007-01-04 WO claimed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 WO claimed
US-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1896011-A1 NEW USE AstraZeneca AB (SE) 2008-03-12 EP disclosed
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US disclosed
WO-2007001973-A1 NEW USE ASTRAZENECA AB (SE) 2007-01-04 WO disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885PKM 2453/4885TP53 4795/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 GRM5 582/4885PKM 965/4885TP53 4856/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885PKM 2453/4885TP53 4795/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 GRM5 1/4885PKM 3450/4885TP53 4884/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885PKM 2453/4885TP53 4795/4885

“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.