SCHEMBL5428283

SCHEMBL5428283

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
KMT2A Q03164 1/20 0.52
KDR P35968 3/20 0.50
NFKB1 P19838 3/20 0.50
NR2C2 P49116 3/20 0.50
NFKB2 Q00653 3/20 0.50
RELA Q04206 3/20 0.50
TAB1 Q15750 3/20 0.50
MAPK14 Q16539 2/20 0.50
RAF1 P04049 4/20 0.47
EPHX2 P34913 2/20 0.47
HIPK4 Q8NE63 2/20 0.46
BRAF P15056 1/20 0.45
SRC P12931 1/20 0.45
DDR2 Q16832 1/20 0.44

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
SCHEMBL546095 0.90 RAF1 (0.51) NPC1RAB9AKMT2AKDRNFKB1
SCHEMBL5419991 0.90 RAF1 (0.52) NPC1RAB9AKDRNFKB1NR2C2
SCHEMBL5420002 0.90 KDR (0.61) NPC1RAB9AKMT2AKDRNFKB1
SCHEMBL5425487 0.89 RAB9A (0.54) NPC1RAB9AKDRNFKB1NR2C2
SCHEMBL5426028 0.88 NPC1 (0.55) NPC1RAB9AKMT2AKDRNFKB1
SCHEMBL5423665 0.87 KDR (0.58) KMT2AKDRNFKB1NR2C2NFKB2
SCHEMBL5421103 0.87 KDR (0.49) NPC1RAB9AKMT2AKDRNFKB1
SCHEMBL546094 0.87 RAF1 (0.65) KMT2AKDRNFKB1NR2C2NFKB2
SCHEMBL5428333 0.87 KDR (0.49) NPC1RAB9AKDRNFKB1NR2C2
SCHEMBL5418789 0.87 NPC1 (0.56) NPC1RAB9AKMT2AKDRNFKB1

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 NPC1 1541/4885RAB9A 2160/4885KMT2A 1162/4885

“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.