SCHEMBL4186253

SCHEMBL4186253

Nc1ccccc1-c1nc(-c2ccccn2)no1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 11/20 0.68
▸ PKM P14618 10/20 0.68
▸ NPC1 O15118 9/20 0.68
▸ RAB9A P51151 9/20 0.68
▸ GRM5 P41594 6/20 0.68
▸ GAA P10253 2/20 0.68
▸ L3MBTL1 Q9Y468 2/20 0.68
▸ MITF O75030 1/20 0.68
▸ TP53 P04637 11/20 0.67
▸ HSD17B10 Q99714 6/20 0.67
▸ ALDH1A1 P00352 5/20 0.67
▸ KDM4E B2RXH2 4/20 0.67
▸ MAPT P10636 4/20 0.67
▸ HPGD P15428 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ TSHR P16473 5/20 0.59
▸ USP2 O75604 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ LMNA P02545 2/20 0.59

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
SCHEMBL4188067 0.83 GRM5 (0.72) SMN1; SMN2PKMNPC1RAB9AGRM5
SCHEMBL1424895 0.81 TP53 (0.77) SMN1; SMN2PKMNPC1RAB9AGRM5
SCHEMBL4187023 0.81 GRM5 (1.00) SMN1; SMN2PKMNPC1RAB9AGRM5
SCHEMBL4198081 0.81 SMN1; SMN2 (0.68) SMN1; SMN2PKMNPC1RAB9AGRM5
SCHEMBL7574782 0.81 SMN1; SMN2 (0.52) SMN1; SMN2PKMNPC1RAB9AGRM5
SCHEMBL4193214 0.80 SMN1; SMN2 (1.00) SMN1; SMN2PKMNPC1RAB9AGRM5
SCHEMBL14395156 0.79 SMN1; SMN2 (0.64) SMN1; SMN2PKMNPC1RAB9AGRM5
SCHEMBL5959913 0.78 PKM (0.77) SMN1; SMN2PKMNPC1RAB9AGRM5
SCHEMBL4198173 0.78 GRM5 (1.00) SMN1; SMN2PKMNPC1RAB9AGRM5
SCHEMBL4192791 0.78 SMN1; SMN2 (0.68) SMN1; SMN2PKMNPC1RAB9AGRM5

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 28 patents — showing the first 20. 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-2005060961-A2 TREATMENT OF TRANSIENT LOWER ESOPHAGEAL SPHINCTER RELAXATIONS (TLESRS) AND GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD) ASTRAZENECA AB (US) 2005-07-07 — — 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
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-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-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 — — WO disclosed
CN-1379775-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2002-11-13 — — CN disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 — — WO disclosed
EP-1210344-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-06-05 — — EP disclosed
WO-2001012627-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2001-02-22 — — 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 (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-20090054491-A1 Use FABP6, SLC10A2, GPR119 SMN1; SMN2 2639/4885PKM 965/4885NPC1 463/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 SMN1; SMN2 1279/4885PKM 2453/4885NPC1 941/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 SMN1; SMN2 3124/4885PKM 3450/4885NPC1 1385/4885

“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.

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