SCHEMBL3597393

SCHEMBL3597393

O=C1Cc2ccc(Nc3cccc(NC(=O)Nc4cc(F)c(F)cc4F)c3)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
KDR P35968 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPV1 Q8NER1 8/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
CRBN Q96SW2 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL3607060 0.87 KIF11 (0.41) KIF11FABP7FABP5KDRGAA
SCHEMBL3601882 0.87 KIF11 (0.46) KIF11FABP7FABP5TRPV1NPC1
SCHEMBL3598229 0.82 KIF11 (0.68) KIF11KDRGAATRPV1RAB9A
SCHEMBL396156 0.77 DDX3X (0.59) FABP7FABP5TRPV1CRBN
SCHEMBL397661 0.73 MEN1 (0.63) KIF11CA12CA1CA2CA9
SCHEMBL22424922 0.72 RAB9A (0.59) KIF11KDRGAANPC1RAB9A
SCHEMBL395800 0.71 KIF11 (0.52) KIF11FABP7FABP5CA9GAA
SCHEMBL3606347 0.71 NTRK1 (0.74) KDR
SCHEMBL3606348 0.71 NTRK1 (0.74) KDR
SCHEMBL25566649 0.70 CA12 (0.54) KIF11KDRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168182-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-07-01 US disclosed
US-20100168182-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-07-01 US disclosed
US-20100168182-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-07-01 US disclosed
EP-2102190-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-09-23 EP disclosed
WO-2008073480-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2008-06-19 WO disclosed
WO-2008073480-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2008-06-19 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 (1 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-20100168182-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS NTRK2, PDGFRB, PDGFRA KIF11 1787/4885FABP7 470/4885FABP5 1986/4885

“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.