SCHEMBL3524599

SCHEMBL3524599

CC(c1nc(-c2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCO3)n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
CYP19A1 P11511 3/20 0.41
MAP2K4 P45985 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40
MAPKAPK5 Q8IW41 1/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3520408 0.79 LMNA (0.42) ALDH1A1MAPK1USP2CYP1A2CYP3A4
SCHEMBL7002519 0.79 TRPV1 (0.44) ALDH1A1MAPK1USP2CYP1A2CYP3A4
SCHEMBL7000169 0.76 ALOX5 (0.43) ALDH1A1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL8637407 0.74 PDE4A (0.41) ALDH1A1CYP19A1CYP26A1KDM4EHTT
SCHEMBL3519826 0.74 CYP19A1 (0.47) MAOAMAOBALDH1A1MAPK1USP2
SCHEMBL3525053 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1USP2CYP1A2CYP3A4
SCHEMBL3524604 0.73 ALDH1A1 (0.46) MAOAMAOBALDH1A1MAPK1USP2
SCHEMBL3522576 0.69 MAP2K4 (0.49) ALDH1A1MAPK1CLK4MAP2K4MAPKAPK2
SCHEMBL3522236 0.69 LMNA (0.40) ALDH1A1MAPK1USP2CYP1A2CYP3A4
SCHEMBL3520143 0.69 CLK4 (0.49) ALDH1A1MAPK1USP2CYP1A2CYP3A4

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
US-20040162299-A1 Substituted quinazolines and analogs and the use thereof EURO-CELTIQUE, S.A. 2004-08-19 US claimed
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 claimed
EP-1066039-A4 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS INC (US) 2003-02-26 EP claimed
US-20030033089-A1 Substituted quinazolines and analogs and the use thereof EURO-CELTIQUE S.A. 2003-02-13 US claimed
EP-1066039-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF Cocensys, Inc. (US) 2001-01-10 EP claimed
WO-1999044612-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS, INC. (US) 1999-09-10 WO claimed
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 MAOA 2953/4885MAOB 3181/4885ALDH1A1 1819/4885

“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.