SCHEMBL2348949

SCHEMBL2348949

CCCc1nc2ccccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.85
PDE4B Q07343 5/20 0.85
PDE4C Q08493 5/20 0.85
PDE4D Q08499 5/20 0.85
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
TLR7 Q9NYK1 1/20 0.60
RAB9A P51151 2/20 0.59
LMNA P02545 2/20 0.59
RECQL P46063 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PDE3B Q13370 1/20 0.57
PDE3A Q14432 1/20 0.57
POLB P06746 1/20 0.57
AGTR1 P30556 1/20 0.56
AGTR2 P50052 1/20 0.56
MAPT P10636 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
CYP1A2 P05177 2/20 0.53

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
SCHEMBL6098546 0.88 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL28206539 0.88 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6518180 0.87 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7069119 0.86 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5563021 0.85 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3823431 0.84 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6512906 0.84 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL14407557 0.84 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6556059 0.84 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4957555 0.83 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658656-B2 Methods and compositions utilizing quinazolinones CYTOKINETICS, INC. (US) 2014-02-25 US disclosed
US-8470838-B2 Quinazolinones useful for treating cellular proliferative diseases and disorders associated with KSP kinesin activity; N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide monomethanesulfonate; treating breast cancer CYTOKINETICS, INCORPORATED (US) 2013-06-25 US disclosed
US-20130053408-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES FINER JEFFREY T (US) 2013-02-28 US disclosed
US-8008311-B2 Methods and compostions utilizing quinazolinones CYTOKINETICS, INC. (US) 2011-08-30 US disclosed
US-8008311-B2 Methods and compostions utilizing quinazolinones CYTOKINETICS, INC. (US) 2011-08-30 US disclosed
US-20100210670-A1 METHODS AND COMPOSTIONS UTILIZIING QUINAZOLINONES CYTOKINETICS, INC. 2010-08-19 US disclosed
US-20100210670-A1 METHODS AND COMPOSTIONS UTILIZIING QUINAZOLINONES CYTOKINETICS, INC. 2010-08-19 US disclosed
US-7763628-B2 Methods and compositions utilizing quinazolinones CYTOKINETICS, INC. (US) 2010-07-27 US disclosed
US-7763628-B2 Methods and compositions utilizing quinazolinones CYTOKINETICS, INC. (US) 2010-07-27 US disclosed
US-20100063073-A1 Quinazolinones useful for treating cellular proliferative diseases and disorders associated with KSP kinesin activity; N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide monomethanesulfonate; treating breast cancer CYTOKINETICS, INC. 2010-03-11 US disclosed
US-20030166933-A1 Process for the racemization of chiral quinazolinones CYTOKINETICS, INC. 2003-09-04 US disclosed
WO-2003043995-A1 PROCESS FOR THE RACEMIZATION OF CHIRAL QUINAZOLINONES CYTOKINETICS, INC. (US) 2003-05-30 WO disclosed
WO-2003039460-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-05-15 WO disclosed
US-6562831-B1 Inhibitors of the mitotic kinesin KSP and are useful in the treatment of cellular proliferative diseases CYTOKINETICS, INC. 2003-05-13 US disclosed
US-6545004-B1 Treating cellular proliferative diseases and disorders associated with KSP kinesin activity. CYTOKINETICS, INC. 2003-04-08 US disclosed
EP-1296959-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES Cytokinetics, Inc. (US) 2003-04-02 EP disclosed
WO-2001030768-A9 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS INC (US) 2002-08-15 WO disclosed
EP-1226129-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES Cytokinetics, Inc. (US) 2002-07-31 EP disclosed
WO-2001098278-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-12-27 WO disclosed
WO-2001030768-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-05-03 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 (4 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-20030166933-A1 Process for the racemization of chiral quinazolinones ADH5, ADH1A, ADH1C PDE4A 1496/4885PDE4B 1756/4885PDE4C 1865/4885
US-20130053408-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES KIF5B, KIF5C, KIF2C PDE4A 1452/4885PDE4B 1703/4885PDE4C 1584/4885
US-20100210670-A1 METHODS AND COMPOSTIONS UTILIZIING QUINAZOLINONES KIF5B, KIF2C, KIF5C PDE4A 1358/4885PDE4B 1549/4885PDE4C 1165/4885
US-20100063073-A1 Quinazolinones useful for treating cellular proliferative diseases and disorders associated with KSP kinesin activity; N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide monomethanesulfonate; treating breast cancer KIF5B, KIF2C, KIF18B PDE4A 1656/4885PDE4B 2031/4885PDE4C 2173/4885

“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.