SCHEMBL5222486

SCHEMBL5222486

N#Cc1cc(C#N)cc(C(=O)Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.40
GPR35 Q9HC97 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TTR P02766 2/20 0.38
ALB P02768 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
VCAM1 P19320 1/20 0.36

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
SCHEMBL11875236 0.95 GSK3B (0.40) GSK3BGPR35CA1CA2TTR
SCHEMBL5223887 0.87 VNN1 (0.40) GSK3BGPR35CA1CA2MRGPRX4
SCHEMBL5223098 0.86 MEN1 (0.41) GSK3BGPR35CA1CA2TTR
SCHEMBL5225566 0.86 TTR (0.41) GSK3BGPR35CA1CA2TTR
SCHEMBL2160606 0.86 TPMT (0.39) GSK3BGPR35CA1CA2TTR
SCHEMBL5222697 0.86 CES2 (0.45)
SCHEMBL4276392 0.82 P4HB (0.43) GPR35
SCHEMBL5227088 0.82 PTGS1 (0.40) GSK3BGPR35CA1CA2PTGS1
SCHEMBL2562131 0.81 EPHX2 (0.39) GSK3BTTRALBMRGPRX4
SCHEMBL4283632 0.81 CES2 (0.50) MEN1KMT2AMRGPRX4

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
CN-111960988-B Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof 南京工业职业技术大学 2021-02-02 CN claimed
CN-111960988-A Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof 南京工业职业技术大学 2020-11-20 CN claimed
CN-111960988-B Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof 南京工业职业技术大学 2021-02-02 CN disclosed
CN-111960988-A Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof 南京工业职业技术大学 2020-11-20 CN disclosed
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP 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 (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 GSK3B 3665/4885GPR35 101/4885CA1 972/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GSK3B 3665/4885GPR35 101/4885CA1 972/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GSK3B 3665/4885GPR35 101/4885CA1 972/4885

“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.