SCHEMBL4490796

SCHEMBL4490796

[O]CCCN1CCNC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 15/20 0.39
HRH3 Q9Y5N1 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5418816 0.88 SMN1; SMN2 (0.41) SMN1; SMN2THRBTOP2ATOP2BKDM4E
SCHEMBL30902672 0.85 CXCR4 (0.50) SMN1; SMN2THRBHRH3KDM4EALDH1A1
SCHEMBL30902677 0.85 CXCR4 (0.50) SMN1; SMN2THRBHRH3KDM4EALDH1A1
SCHEMBL9029619 0.83 THRB (0.49) SMN1; SMN2THRBTOP2ATOP2BALDH1A1
SCHEMBL4490799 0.83 SMN1; SMN2 (0.41) SMN1; SMN2THRBHRH3
SCHEMBL1959159 0.83 SMN1; SMN2 (0.38) SMN1; SMN2THRBHRH3
SCHEMBL17379026 0.82 SMN1; SMN2 (0.40) SMN1; SMN2THRBTOP2ATOP2BKDM4E
Hydrochloric Acid SCHEMBL9029064 0.81 THRB (0.48) THRBALDH1A1
SCHEMBL974631 0.81 THRB (0.51) THRB
SCHEMBL18634073 0.80 THRB (0.53) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 US claimed
US-20070191346-A1 3-Cyano-quinoline derivatives ASTRAZENECA AB 2007-08-16 US claimed
US-7173136-B2 3-Cyano-quinoline derivatives ASTRAZENECA AB (SE) 2007-02-06 US claimed
US-7173135-B2 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB (SE) 2007-02-06 US claimed
US-20060089382-A1 7-[3-(4-acetylpiperazin-1-yl)propoxy]-3-cyano-6-methoxy-4-[4-(3-methoxyprop-1-ynyl)-2,3-methylenedioxyanilino]quinoline; potent anti-tumour activity; inhibition of MEK enzymes involved in the MAPK kinase pathway, inhibiting the non-receptor tyrosine-specific protein kinases ASTRAZENECA AB (SE) 2006-04-27 US claimed
US-20050282856-A1 3-Cyano-quinoline derivatives ASTRAZENECA AB (SE) 2005-12-22 US claimed
EP-1575943-A1 3-CYANO-QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2005-09-21 EP claimed
WO-2004041811-A1 3-CYANO-QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-21 WO claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 US disclosed
US-20070191346-A1 3-Cyano-quinoline derivatives ASTRAZENECA AB 2007-08-16 US disclosed
US-7173136-B2 3-Cyano-quinoline derivatives ASTRAZENECA AB (SE) 2007-02-06 US disclosed
US-7173135-B2 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB (SE) 2007-02-06 US disclosed
US-20060089382-A1 7-[3-(4-acetylpiperazin-1-yl)propoxy]-3-cyano-6-methoxy-4-[4-(3-methoxyprop-1-ynyl)-2,3-methylenedioxyanilino]quinoline; potent anti-tumour activity; inhibition of MEK enzymes involved in the MAPK kinase pathway, inhibiting the non-receptor tyrosine-specific protein kinases ASTRAZENECA AB (SE) 2006-04-27 US disclosed
EP-1575943-A1 3-CYANO-QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2005-09-21 EP disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
EP-1521751-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS Astrazeneca AB (SE) 2005-04-13 EP disclosed
WO-2004041811-A1 3-CYANO-QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-21 WO disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
WO-2004005284-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS ASTRAZENECA AB (SE) 2004-01-15 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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 SMN1; SMN2 3506/4885THRB 3235/4885HRH3 980/4885
US-20050282856-A1 3-Cyano-quinoline derivatives MKI67, CCNA1, CCNT1 SMN1; SMN2 1797/4885THRB 4064/4885HRH3 961/4885
US-20060089382-A1 7-[3-(4-acetylpiperazin-1-yl)propoxy]-3-cyano-6-methoxy-4-[4-(3-methoxyprop-1-ynyl)-2,3-methylenedioxyanilino]quinoline; potent anti-tumour activity; inhibition of MEK enzymes involved in the MAPK kinase pathway, inhibiting the non-receptor tyrosine-specific protein kinases MAPK1, MAPK3, MAPK4 SMN1; SMN2 4610/4885THRB 781/4885HRH3 1491/4885
US-20070191346-A1 3-Cyano-quinoline derivatives MKI67, CCNA1, CCNT1 SMN1; SMN2 1797/4885THRB 4064/4885HRH3 961/4885

“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.