SCHEMBL1859795

SCHEMBL1859795

Cn1nccc1NC(=O)c1cnc(Cl)nc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 16/20 0.60
ATF1 P18846 14/20 0.60
XPO1 O14980 5/20 0.60
JUN P05412 3/20 0.56
NFKB2 Q00653 3/20 0.56
RELA Q04206 3/20 0.56

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
SCHEMBL14117904 0.81 XPO1 (0.63) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL6977551 0.72 NFKB1 (0.62) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL2307377 0.72 NFKB1 (0.61) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL458841 0.72 NFKB1 (1.00) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL8518174 0.71 NFKB1 (0.62) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL14938017 0.71 OXTR (0.57)
SCHEMBL30640561 0.71 POLB (0.57)
SCHEMBL1862523 0.71 NFKB1 (0.74) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL1864557 0.71 NFKB1 (0.78) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL7489466 0.70 NFKB1 (0.59) NFKB1ATF1XPO1JUNNFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20090076012-A1 Modulation of pathogenicity QUONOVA, LLC 2009-03-19 US disclosed
US-20090076012-A1 Modulation of pathogenicity QUONOVA, LLC 2009-03-19 US disclosed
US-20080214635-A1 Modulation of pathogenicity QUONOVA, LLC 2008-09-04 US disclosed
US-20080214635-A1 Modulation of pathogenicity QUONOVA, LLC 2008-09-04 US disclosed
US-20080194607-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-14 US disclosed
US-20080188536-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080188536-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080188491-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080188491-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080188535-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080182878-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-31 US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 US 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 (10 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-20090076012-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 NFKB1 2156/4885ATF1 2969/4885XPO1 1613/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 NFKB1 2117/4885ATF1 2956/4885XPO1 1607/4885
US-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 NFKB1 2117/4885ATF1 2956/4885XPO1 1607/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 NFKB1 2117/4885ATF1 2956/4885XPO1 1607/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 NFKB1 2129/4885ATF1 2975/4885XPO1 1583/4885
US-20080188491-A1 Modulation of pathogenicity NR4A1, MSR1, NR4A2 NFKB1 1795/4885ATF1 2793/4885XPO1 1861/4885
US-20080194607-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 NFKB1 2117/4885ATF1 2956/4885XPO1 1607/4885
US-20080188535-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 NFKB1 2117/4885ATF1 2956/4885XPO1 1607/4885
US-20080188536-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 NFKB1 2117/4885ATF1 2956/4885XPO1 1607/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 NFKB1 1972/4885ATF1 2706/4885XPO1 1361/4885

“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.