SCHEMBL307433

SCHEMBL307433

CN(C)N(C)C(=O)c1cc2nccc(Cl)c2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN3B O60391 11/20 0.36
GRIN1 Q05586 11/20 0.36
GRIN2C Q14957 11/20 0.36
GRIN2D O15399 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
KMT2A Q03164 2/20 0.34
HDAC3 O15379 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
HDAC4 P56524 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
HDAC1 Q13547 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34

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
SCHEMBL3569070 0.89 ICAM1 (0.40) GRIN3BGRIN1GRIN2CGRIN2DGRIN2A
SCHEMBL4593226 0.84 GRIN3B (0.37) GRIN3BGRIN1GRIN2CGRIN2DGRIN2A
SCHEMBL5242906 0.83 KMT2A (0.41) GRIN3BGRIN1GRIN2CGRIN2DGRIN2A
SCHEMBL5242875 0.83 HRH4 (0.42) GRIN3BGRIN1GRIN2CGRIN2DGRIN2A
SCHEMBL10288661 0.81 USP7 (0.42) GRIN3BGRIN1GRIN2CGRIN2DGRIN2A
SCHEMBL5243258 0.81 KMT2A (0.40) GRIN3BGRIN1GRIN2CGRIN2DGRIN2A
SCHEMBL6302251 0.80 HDAC3 (0.44) HDAC3TUBB4ATUBBTUBA3CHDAC4
SCHEMBL306971 0.80 GRIN3B (0.43) GRIN3BGRIN1GRIN2CGRIN2DGRIN2A
SCHEMBL198179 0.79 GRIN3B (0.38) GRIN3BGRIN1GRIN2CGRIN2DGRIN2A
SCHEMBL199636 0.79 DAO (0.46) GRIN3BGRIN1GRIN2CGRIN2DGRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 GRIN3B 1864/4885GRIN1 1652/4885GRIN2C 2723/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR GRIN3B 1623/4885GRIN1 1253/4885GRIN2C 1415/4885

“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.