SCHEMBL5675460

SCHEMBL5675460

Cn1cc2ccc(NC(=O)c3ccccc3NCc3ccnc(NC(=O)N4CC[S+]([O-])CC4)c3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 17/20 0.47
BRAF P15056 17/20 0.47
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
NOTUM Q6P988 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL13714564 0.91 KIT (0.49) KITBRAFBRD4CREBBPNOTUM
SCHEMBL13714592 0.90 KIT (0.50) KITBRAF
SCHEMBL13714601 0.90 KIT (0.48) KITBRAFBRD4CREBBPNOTUM
SCHEMBL13714619 0.89 KIT (0.49) KITBRAFBRD4CREBBP
SCHEMBL13714621 0.89 KIT (0.47) KITBRAFBRD4CREBBPNOTUM
SCHEMBL13714533 0.89 KIT (0.47) KITBRAFBRD4CREBBPNOTUM
SCHEMBL5178265 0.88 KIT (0.47) KITBRAFBRD4CREBBP
SCHEMBL3866092 0.86 KIT (0.50) KITBRAF
SCHEMBL13714590 0.86 KIT (0.48) KITBRAFBRD4CREBBPNOTUM
SCHEMBL13714532 0.86 KIT (0.48) KITBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264425-A1 4-hydroxy-4-methyl-piperidine-1 -carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide; 2,6-dimethyl-morpholine-4-carboxylic acid (4-{[2-(1-methyl-1H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-11-23 US claimed
US-7572794-B2 4-hydroxy-4-methyl-piperidine-1 -carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide; 2,6-dimethyl-morpholine-4-carboxylic acid (4-{[2-(1-methyl-1H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide BAYER SCHERING PHARMA AG (DE) 2009-08-11 US disclosed
US-7572794-B2 4-hydroxy-4-methyl-piperidine-1 -carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide; 2,6-dimethyl-morpholine-4-carboxylic acid (4-{[2-(1-methyl-1H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide BAYER SCHERING PHARMA AG (DE) 2009-08-11 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-20060264425-A1 4-hydroxy-4-methyl-piperidine-1 -carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide; 2,6-dimethyl-morpholine-4-carboxylic acid (4-{[2-(1-methyl-1H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide KDR, FLT4, FLT1 KIT 83/4885BRAF 495/4885BRD4 618/4885

“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.