SCHEMBL5225945

SCHEMBL5225945

Brc1ccc(-c2nc(-c3ccccn3)no2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 11/20 0.63
RAB9A P51151 11/20 0.63
NPC1 O15118 11/20 0.63
TP53 P04637 10/20 0.63
SMN1; SMN2 Q16637 10/20 0.63
GRM5 P41594 7/20 0.62
MAPT P10636 5/20 0.60
ALDH1A1 P00352 4/20 0.60
TSHR P16473 4/20 0.60
HSD17B10 Q99714 4/20 0.60
KDM4E B2RXH2 2/20 0.60
LMNA P02545 2/20 0.60
KLF5 Q13887 2/20 0.60
HPGD P15428 1/20 0.60
POLB P06746 2/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.54
MITF O75030 2/20 0.54

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
SCHEMBL1424895 0.86 TP53 (0.77) PKMRAB9ANPC1TP53SMN1; SMN2
SCHEMBL40547 0.79 KDM4E (0.61) PKMRAB9ANPC1TP53SMN1; SMN2
SCHEMBL29419035 0.79 KDM4E (0.61) PKMRAB9ANPC1TP53SMN1; SMN2
SCHEMBL5959953 0.78 PKM (1.00) PKMRAB9ANPC1TP53SMN1; SMN2
SCHEMBL4179017 0.77 GRM5 (0.71) PKMRAB9ANPC1TP53SMN1; SMN2
SCHEMBL4197929 0.77 GRM5 (1.00) PKMRAB9ANPC1TP53SMN1; SMN2
SCHEMBL4197856 0.76 GRM5 (0.61) PKMRAB9ANPC1TP53SMN1; SMN2
SCHEMBL4179210 0.75 GRM5 (0.64) PKMRAB9ANPC1TP53SMN1; SMN2
SCHEMBL6449030 0.75 GRM5 (0.64) PKMRAB9ANPC1TP53SMN1; SMN2
SCHEMBL3348890 0.74 KDM4E (0.64) PKMRAB9ANPC1TP53SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
CN-1332959-C Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2007-08-22 CN 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
CN-1649865-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2005-08-03 CN 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-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 (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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PKM 2453/4885RAB9A 1813/4885NPC1 941/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PKM 2453/4885RAB9A 1813/4885NPC1 941/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PKM 2453/4885RAB9A 1813/4885NPC1 941/4885

“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.