SCHEMBL4187922

SCHEMBL4187922

Oc1cncc(-c2nc(-c3ccccn3)no2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 10/20 0.67
TP53 P04637 9/20 0.67
RAB9A P51151 9/20 0.67
NPC1 O15118 9/20 0.67
SMN1; SMN2 Q16637 8/20 0.67
TSHR P16473 5/20 0.67
ALDH1A1 P00352 4/20 0.63
GRM5 P41594 10/20 0.63
MAPT P10636 6/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MAPK1 P28482 1/20 0.60
MITF O75030 1/20 0.60
KDM4E B2RXH2 2/20 0.59
LMNA P02545 2/20 0.59
KLF5 Q13887 2/20 0.59
HSD17B10 Q99714 2/20 0.59
HPGD P15428 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57

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
SCHEMBL4197874 0.85 GRM5 (0.77) PKMTP53RAB9ANPC1SMN1; SMN2
SCHEMBL4186570 0.85 TP53 (0.74) PKMTP53RAB9ANPC1SMN1; SMN2
SCHEMBL4179017 0.85 GRM5 (0.71) PKMTP53RAB9ANPC1SMN1; SMN2
SCHEMBL14395146 0.84 PKM (0.67) PKMTP53RAB9ANPC1SMN1; SMN2
SCHEMBL4193213 0.84 GRM5 (0.71) PKMTP53RAB9ANPC1SMN1; SMN2
SCHEMBL4185713 0.84 PKM (0.67) PKMTP53RAB9ANPC1SMN1; SMN2
SCHEMBL14395183 0.84 PKM (0.68) PKMTP53RAB9ANPC1SMN1; SMN2
SCHEMBL5222730 0.83 TP53 (0.82) PKMTP53RAB9ANPC1SMN1; SMN2
SCHEMBL14394805 0.82 PKM (0.61) PKMTP53RAB9ANPC1SMN1; SMN2
SCHEMBL4192350 0.81 NPC1 (0.73) PKMTP53RAB9ANPC1SMN1; SMN2

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 20 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
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
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-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO 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 PKM 2453/4885TP53 4795/4885RAB9A 1813/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 PKM 965/4885TP53 4856/4885RAB9A 3862/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PKM 2453/4885TP53 4795/4885RAB9A 1813/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 PKM 3450/4885TP53 4884/4885RAB9A 2078/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PKM 2453/4885TP53 4795/4885RAB9A 1813/4885

“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.