SCHEMBL5420002

SCHEMBL5420002

CNC(=O)c1cc(Oc2ccc3c(c2)CN(C(=O)Nc2ccc(Cl)cc2)CC3)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.61
MAPK14 Q16539 3/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
NFKB1 P19838 1/20 0.51
NR2C2 P49116 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
TAB1 Q15750 1/20 0.51
RAF1 P04049 7/20 0.50
BRAF P15056 4/20 0.50
EPHX2 P34913 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PLK4 O00444 1/20 0.49
CIT O14578 1/20 0.49
AURKA O14965 1/20 0.49
MUSK O15146 1/20 0.49
EPHB6 O15197 1/20 0.49

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
SCHEMBL5430195 0.91 GPR142 (0.59) KDRMAPK14MEN1KMT2ANFKB1
SCHEMBL5426028 0.91 NPC1 (0.55) KDRMAPK14MEN1KMT2ANFKB1
SCHEMBL5419991 0.91 RAF1 (0.52) KDRMAPK14NFKB1NR2C2NFKB2
SCHEMBL5425487 0.90 RAB9A (0.54) KDRMAPK14NFKB1NR2C2NFKB2
SCHEMBL5428283 0.90 NPC1 (0.56) KDRMAPK14KMT2ANFKB1NR2C2
SCHEMBL546094 0.89 RAF1 (0.65) KDRMAPK14MEN1KMT2ANFKB1
SCHEMBL5421103 0.89 KDR (0.49) KDRMAPK14MEN1KMT2ANFKB1
SCHEMBL5423665 0.89 KDR (0.58) KDRMAPK14MEN1KMT2ANFKB1
SCHEMBL5428333 0.89 KDR (0.49) KDRMAPK14NFKB1NR2C2NFKB2
SCHEMBL5422226 0.89 KDR (0.49) KDRMAPK14MEN1KMT2ANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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 (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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 KDR 1264/4885MAPK14 278/4885MEN1 2916/4885

“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.