SCHEMBL3407832

SCHEMBL3407832

O=C(Nc1ccc(Oc2cc[n+]([O-])cc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.65
CDK8 P49336 3/20 0.65
CA7 P43166 3/20 0.61
CA9 Q16790 3/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
RAF1 P04049 7/20 0.61
BRAF P15056 3/20 0.59
MEN1 O00255 1/20 0.59
PLK4 O00444 1/20 0.59
CIT O14578 1/20 0.59
AURKA O14965 1/20 0.59
MUSK O15146 1/20 0.59
EPHB6 O15197 1/20 0.59
MAPK13 O15264 1/20 0.59
MLNR O43193 1/20 0.59
MAP3K7 O43318 1/20 0.59
RIPK2 O43353 1/20 0.59
DYRK3 O43781 1/20 0.59
PDE6D O43924 1/20 0.59

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
SCHEMBL13432444 0.87 KDR (0.64) KDRCDK8CA7CA9CA1
SCHEMBL13556629 0.85 RAF1 (0.72) KDRCDK8CA7CA9CA1
SCHEMBL548163 0.85 RAF1 (0.64) KDRCDK8CA7CA9CA1
SCHEMBL16628140 0.84 KDR (0.70) KDRCDK8CA7CA9CA1
SCHEMBL938819 0.84 KDR (0.70) KDRCDK8CA7CA9CA1
SCHEMBL29733289 0.84 RAF1 (0.67) KDRCDK8CA7CA9RAF1
SCHEMBL548256 0.84 RAF1 (0.67) KDRCDK8CA7CA9RAF1
SCHEMBL936533 0.83 RAF1 (0.73) KDRCDK8CA7CA9RAF1
SCHEMBL31504026 0.83 KDR (0.68) KDRCDK8CA7CA9CA1
SCHEMBL30462521 0.83 RAF1 (0.73) KDRCDK8CA7CA9RAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS DUMAS JACQUES 2010-03-25 US disclosed
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2004-11-18 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 (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-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS CDK4, MKI67, TP53 KDR 135/4885CDK8 44/4885CA7 3698/4885
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders CDK4, MKI67, TP53 KDR 135/4885CDK8 44/4885CA7 3698/4885

“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.