SCHEMBL3522794

SCHEMBL3522794

c1cc2c(cc1-c1nc(OCCC3CCCN3)nc3cc4c(cc13)OCO4)OCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.36
MAP2K4 P45985 4/20 0.35
SSTR2 P30874 3/20 0.35
CLK2 P49760 2/20 0.35
DYRK1A Q13627 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
MAPK1 P28482 2/20 0.35
MAPKAPK2 P49137 2/20 0.35
MAPKAPK3 Q16644 2/20 0.35
MAPK6 Q16659 2/20 0.35
CHEK2 O96017 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL3523725 0.79 ACP1 (0.37) ACP1CLK2DYRK1ACLK4DYRK1B
SCHEMBL3523406 0.79 PARP1 (0.42) CLK2DYRK1ACLK4DYRK1BCHEK1
SCHEMBL3522801 0.79 KCNH2 (0.51) CLK4MAPK1RETKDM4ECYP1A2
SCHEMBL3521426 0.78 PDE4A (0.41) CLK2DYRK1ACLK4DYRK1BCHEK1
SCHEMBL3523499 0.77 TRPV1 (0.36) MAP2K4CLK2DYRK1ACLK4DYRK1B
SCHEMBL6999757 0.77 ALOX5 (0.44) MAP2K4CLK2DYRK1ACLK4DYRK1B
SCHEMBL3522377 0.77 TDP1 (0.43) CLK2DYRK1ACLK4DYRK1BMAPK1
SCHEMBL3522991 0.75 TDP1 (0.45) CLK4MAPK1KDM4ELMNACYP1A2
SCHEMBL3523428 0.74 TDP1 (0.41) CLK2DYRK1ACLK4DYRK1BMAPK1
SCHEMBL3527472 0.73 LMNA (0.48) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652006-B2 For therapy and prophylaxis of neuronal loss associated with stroke, global and focal ischemia, CNS trauma, hypoglycemia and surgery, for ameliorating neurodegenerative diseases EURO-CELTIQUE S.A. (LU) 2010-01-26 US disclosed
US-20040162299-A1 Substituted quinazolines and analogs and the use thereof EURO-CELTIQUE, S.A. 2004-08-19 US disclosed
US-6765006-B2 ANTAGONISTS OF AMINO-3-HYDROXY-5-METHYLISOXAZOLE-4-PROPIONIC ACID (AMPA) IONOTROPIC RECEPTORS; NEURODEGENERATIVE, ALZHEIMER'S, AND HUNTINGTON'S DISEASE; AMYOTROPHIC LATERAL SCLEROSIS; SCHIZOPHRENIA, EXCITATORY AMINO ACID DEFICIENCY EURO-CELTIQUE S.A. (LU) 2004-07-20 US disclosed
EP-1066039-A4 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS INC (US) 2003-02-26 EP disclosed
US-20030033089-A1 Substituted quinazolines and analogs and the use thereof EURO-CELTIQUE S.A. 2003-02-13 US disclosed
US-6465472-B1 SUCH AS 1-(2-DIETHYLAMINOETHYL)-6,7-METHYLENEDIOXY-4-(3,4-METHYLENE -DIOXYPHENYL)QUINAZOLIN-2(1H)-ONE; AMPA IONOTROPIC RECEPTOR ANTAGONISTS; ANTICONVULSANTS, COGNITIVE ENHANCERS, PREVENTION OF NEURODEGENERATION EURO-CELTIQUE S.A. (LU) 2002-10-15 US disclosed
EP-1066039-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF Cocensys, Inc. (US) 2001-01-10 EP disclosed
WO-1999044612-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS, INC. (US) 1999-09-10 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 (1 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-20040162299-A1 Substituted quinazolines and analogs and the use thereof CHRNA7, CHRNA2, CHRNA10 ACP1 4686/4885MAP2K4 2070/4885SSTR2 3138/4885

“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.