SCHEMBL643894

SCHEMBL643894

[CH2]C(CCCN1CCC1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 2/20 0.32
CXCR4 P61073 2/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
CACNA2D1 P54289 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL5419103 0.85 KEAP1 (0.41) HRH3MAPTSMN1; SMN2SIGMAR1
SCHEMBL6872234 0.83 HRH3 (0.42) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL6872232 0.83 HRH3 (0.42) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL4526655 0.76 KEAP1 (0.48) HRH3CYP1A2MAPK1SMN1; SMN2SIGMAR1
SCHEMBL21202589 0.75 HRH3 (0.44) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL9412677 0.74
SCHEMBL11889487 0.72 HRH3 (0.46) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL11833418 0.72 HRH3 (0.37) HRH3CARM1PRMT6PRMT8MEN1
SCHEMBL5238996 0.72 SLC6A2 (0.39) HRH3SMN1; SMN2
SCHEMBL22077060 0.71 HRH3 (0.50) HRH3MAPTCYP1A2MAPK1SMN1; SMN2

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 2954/4885CYP1A2 4367/4885
US-20050234037-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 HRH3 4076/4885MAPT 2954/4885CYP1A2 4367/4885

“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.