SCHEMBL643893

SCHEMBL643893

[CH](CCCN1CCC1)CN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
MAPT P10636 2/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CXCR4 P61073 1/20 0.33
ALOX15 P16050 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL7225776 0.95 HRH3 (0.54) HRH3MAPTCARM1PRMT6PRMT8
SCHEMBL7543987 0.86 CXCR4 (0.53) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL5419101 0.86 KEAP1 (0.47) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL5498783 0.80 PAOX (0.41) HRH3MAPTALDH1A1SIGMAR1
SCHEMBL11889486 0.79 HRH3 (0.56) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL5499197 0.78 CXCR4 (0.48) HRH3CYP1A2SMN1; SMN2LTA4HCXCR4
SCHEMBL4526651 0.78 KEAP1 (0.52) HRH3CYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL9412671 0.77 HRH3 (0.32) HRH3SMN1; SMN2
SCHEMBL5499433 0.75 HPGD (0.35) CYP1A2ALDH1A1
SCHEMBL11833413 0.72 SIGMAR1 (0.40) HRH3MAPTCARM1PRMT6PRMT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008153701-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-12-18 WO claimed
EP-1692112-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-09-24 EP claimed
EP-1594849-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2007-07-04 EP claimed
US-20070149500-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US claimed
EP-1692112-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-08-23 EP claimed
EP-1686120-A2 Methods and compositions utilizing quinazolinones Cytokinetics, Inc. (US) 2006-08-02 EP claimed
EP-1594849-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-11-16 EP claimed
US-20050234037-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-10-20 US claimed
WO-2005061460-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-07-07 WO claimed
WO-2004064741-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC. (US) 2004-08-05 WO claimed
WO-2001030768-A9 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS INC (US) 2002-08-15 WO claimed
EP-1226129-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES Cytokinetics, Inc. (US) 2002-07-31 EP claimed
WO-2001030768-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-05-03 WO claimed
US-8658656-B2 Methods and compositions utilizing quinazolinones CYTOKINETICS, INC. (US) 2014-02-25 US disclosed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 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-6545004-B1 Treating cellular proliferative diseases and disorders associated with KSP kinesin activity. CYTOKINETICS, INC. 2003-04-08 US 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-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 (2 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-20070149500-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 HRH3 4076/4885MAPT 2954/4885CARM1 2869/4885
US-20050234037-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 HRH3 4076/4885MAPT 2954/4885CARM1 2869/4885

“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.