SCHEMBL5223331

SCHEMBL5223331

O=C(O)c1cc(F)cc(-n2ccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 11/20 0.55
CYP3A4 P08684 2/20 0.46
BAZ2B Q9UIF8 1/20 0.46
CYP4Z1 Q86W10 1/20 0.43
HTT P42858 2/20 0.43
HCAR1 Q9BXC0 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
ENPP2 Q13822 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL21652707 0.89 ADH5 (0.63) ADH5CYP3A4BAZ2BCYP4Z1HTT
SCHEMBL28424338 0.89 ADH5 (0.63) ADH5CYP3A4BAZ2BCYP4Z1HTT
Hydrochloric Acid SCHEMBL29093460 0.87 ADH5 (0.61) ADH5CYP3A4BAZ2BCYP4Z1HTT
SCHEMBL19212396 0.81 CYP3A4 (0.52) CYP3A4BAZ2BENPP2MKNK1MKNK2
SCHEMBL3535504 0.81 ADH5 (0.54) ADH5CYP3A4BAZ2BCYP4Z1HTT
SCHEMBL31133385 0.80 HCAR1 (0.48) ADH5HCAR1HCAR2
SCHEMBL21816143 0.80 HCAR1 (0.48) ADH5HCAR1HCAR2
SCHEMBL5955802 0.78 CYP11B1 (0.40) ADH5CYP3A4BAZ2BHTTENPP2
SCHEMBL5222562 0.78 MAPT (0.38) ADH5CYP3A4BAZ2BHTTENPP2
SCHEMBL29488338 0.76 IDO1 (0.61) ADH5CYP3A4BAZ2BCYP4Z1

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 14 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
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
CN-1853630-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2006-11-01 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-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 (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 ADH5 3012/4885CYP3A4 4422/4885BAZ2B 2168/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 ADH5 3012/4885CYP3A4 4422/4885BAZ2B 2168/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 ADH5 3012/4885CYP3A4 4422/4885BAZ2B 2168/4885

“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.