SCHEMBL4186520

SCHEMBL4186520

N#Cc1ccc(-c2noc(-c3cc(F)cc(C#N)c3)n2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 1.00
KCNH2 Q12809 1/20 1.00
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA4 P43681 1/20 0.43
CYP1A2 P05177 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
SCHEMBL30079793 1.00 GRM5 (1.00) GRM5KCNH2CHRNB2CHRNA5CHRNA4
SCHEMBL2027395 0.93 GRM5 (1.00) GRM5KCNH2CYP1A2
SCHEMBL29520397 0.93 GRM5 (1.00) GRM5KCNH2CYP1A2
SCHEMBL4193265 0.90 GRM5 (0.82) GRM5KCNH2CHRNB2CHRNA5CHRNA4
SCHEMBL4186263 0.89 GRM5 (0.80) GRM5KCNH2CYP1A2
SCHEMBL4192990 0.89 GRM5 (0.80) GRM5KCNH2CYP1A2
SCHEMBL14394806 0.89 GRM5 (0.80) GRM5KCNH2
SCHEMBL4195467 0.87 GRM5 (0.90) GRM5KCNH2CHRNB2CHRNA5CHRNA4
SCHEMBL5223755 0.86 GRM5 (0.76) GRM5KCNH2
SCHEMBL5223474 0.85 GRM5 (0.74) GRM5KCNH2CHRNB2CHRNA5CHRNA4

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240285637-A1 PHOSPHODIESTERASE INHIBITORS FOR THE MITIGATION OF FRAGILE X SYNDROME SYMPTOMS The Royal Institution of the Advancement of Learning/McGill University (CA) 2024-08-29 US claimed
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
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US claimed
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 US claimed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US claimed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 WO claimed
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 claimed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US claimed
US-12233060-B2 Inhibitors of Ataxia-Telangiectasia Mutated and Rad3-related protein kinase (ATR) for use in methods of treating cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2025-02-25 US disclosed
US-20240285637-A1 PHOSPHODIESTERASE INHIBITORS FOR THE MITIGATION OF FRAGILE X SYNDROME SYMPTOMS The Royal Institution of the Advancement of Learning/McGill University (CA) 2024-08-29 US disclosed
EP-3436009-B1 NEGATIVE ALLOSTERIC MODULATORS OF MGLUR5 FOR USE IN THE TREATMENT OF MATURE BRAIN DAMAGES. Sinntaxis AB (SE) 2024-03-06 EP disclosed
WO-2023279193-A9 PHOSPHODIESTERASE INHIBITORS FOR THE MITIGATION OF FRAGILE X SYNDROME SYMPTOMS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2023-04-27 WO 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 (6 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-12233060-B2 Inhibitors of Ataxia-Telangiectasia Mutated and Rad3-related protein kinase (ATR) for use in methods of treating cancer ATR, RAD50, ATM GRM5 4034/4885KCNH2 4535/4885CHRNB2 3606/4885
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885KCNH2 860/4885CHRNB2 117/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 GRM5 582/4885KCNH2 3309/4885CHRNB2 1624/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885KCNH2 860/4885CHRNB2 117/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 GRM5 1/4885KCNH2 693/4885CHRNB2 185/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885KCNH2 860/4885CHRNB2 117/4885

“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.