SCHEMBL3598229

SCHEMBL3598229

O=C1Cc2ccc(Nc3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)cc2N1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.68
NTRK1 P04629 1/20 0.55
NTRK3 Q16288 1/20 0.55
GRM5 P41594 1/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
TRPV1 Q8NER1 3/20 0.52
EPHX2 P34913 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KDR P35968 2/20 0.48

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
SCHEMBL3601882 0.83 KIF11 (0.46) KIF11GRM5RAB9ATRPV1
SCHEMBL3597393 0.82 KIF11 (0.44) KIF11GRM5RAB9ATRPV1GAA
SCHEMBL16208518 0.81 KIF11 (1.00) KIF11GAA
SCHEMBL9312317 0.80 GRM5 (0.53) KIF11NTRK1NTRK3GRM5KMT2A
SCHEMBL16208483 0.80 KIF11 (0.81) KIF11TRPV1
SCHEMBL25566649 0.80 CA12 (0.54) KIF11NTRK1TRPV1KDR
SCHEMBL396156 0.78 DDX3X (0.59) TRPV1ALDH1A1
SCHEMBL3607060 0.78 KIF11 (0.41) KIF11GRM5RAB9ATRPV1GAA
SCHEMBL4548162 0.77 KMT2A (0.87) NTRK1KMT2AMAPTMEN1HTT
SCHEMBL25566268 0.76 KDR (0.65) TRPV1KDR

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 1787/4885NTRK1 4/4885NTRK3 5/4885

“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.