SCHEMBL3526481

SCHEMBL3526481

CC(C)Nc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
GPR55 Q9Y2T6 1/20 0.42
RECQL P46063 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OGA O60502 1/20 0.38
BRAF P15056 1/20 0.38
PIK3CA P42336 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TYK2 P29597 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 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
SCHEMBL3359576 0.79 KIF11 (0.47) KIF11ADORA3ADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL20502848 0.78 KIF11 (0.46) KIF11ADORA3ADORA2AADORA2BADORA1
SCHEMBL15553344 0.76 BRAF (0.58) KIF11ADORA3ADORA2AADORA2BADORA1
SCHEMBL2497478 0.76 KIF11 (0.51) KIF11ADORA3ADORA2AADORA2BADORA1
SCHEMBL12510136 0.75 ADORA3 (0.49) KIF11ADORA3ADORA2AADORA2BADORA1
SCHEMBL12233658 0.75 KIF11 (0.44) KIF11ADORA3ADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL1882259 0.74 KIF11 (0.50) KIF11ADORA3ADORA2AADORA2BADORA1
SCHEMBL12018123 0.72 KIF11 (0.56) KIF11ADORA3ADORA2AADORA2BADORA1
SCHEMBL879006 0.72 GPR55 (0.45) KIF11GPR55OGAPIK3CALMNA
SCHEMBL5355240 0.71 ALDH1A1 (0.47) KIF11BRAFPIK3CAALDH1A1MAPT

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 KIF11 2501/4885ADORA3 1022/4885ADORA2A 883/4885

“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.