SCHEMBL3872452

SCHEMBL3872452

Cn1cc2ccc(NC(=O)c3c(F)cccc3NCc3ccnc(N)c3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.46
BRAF P15056 6/20 0.46
NOTUM Q6P988 2/20 0.43
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
BACE1 P56817 2/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
KCNH3 Q9ULD8 1/20 0.38
KCNH2 Q12809 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
BUB1 O43683 1/20 0.37

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
SCHEMBL3872449 0.91 KIT (0.48) KITBRAFNOTUMMAOAMAOB
SCHEMBL1488488 0.90 NOTUM (0.43) KITBRAFNOTUMMAOAMAOB
SCHEMBL1488663 0.86 NOTUM (0.41) KITBRAFNOTUMMAOAMAOB
SCHEMBL3873766 0.86 KIT (0.59) KITBRAFNOTUMBRD4CREBBP
SCHEMBL13714573 0.83 IRAK4 (0.39) KITBRAFNOTUMAURKAAURKB
SCHEMBL5176609 0.80 KDR (0.50) KITBRAFNOTUM
SCHEMBL3875110 0.77 KIT (0.61) KITBRAFNOTUMBRD4CREBBP
SCHEMBL1488991 0.76 NOTUM (0.48) KITBRAFNOTUMBRD4CREBBP
SCHEMBL4036546 0.75 KIT (0.53) KITBRAFNOTUM
SCHEMBL4037571 0.74 KIT (0.50) KITBRAFNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1807415-A2 NOVEL ANTHRANILAMIDE PYRIDINUREAS AS VEGF RECEPTOR KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-18 EP claimed
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
EP-1657241-A1 Novel anthranilamide pyridinureas as VEGF receptor kinase inhibitors Schering Aktiengesellschaft (DE) 2006-05-17 EP claimed
WO-2006048248-A2 NOVEL ANTHRANILAMIDE PYRIDINUREAS AS VEGF RECEPTOR KINASE IMHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-11 WO 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
EP-1807415-A2 NOVEL ANTHRANILAMIDE PYRIDINUREAS AS VEGF RECEPTOR KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-18 EP disclosed
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 disclosed
EP-1657241-A1 Novel anthranilamide pyridinureas as VEGF receptor kinase inhibitors Schering Aktiengesellschaft (DE) 2006-05-17 EP disclosed
WO-2006048248-A2 NOVEL ANTHRANILAMIDE PYRIDINUREAS AS VEGF RECEPTOR KINASE IMHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-11 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-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 495/4885NOTUM 4703/4885

“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.